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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'mckee' and Initial = 'kk'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GALR1


(RAT)
BDBM50273370
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:106.112,4.4,8.12,32.33,37.40,43.48,51.56,63.76,wD:149.157,138.145,134.142,125.131,114.119,99.104,92.96,16.25,59.60,79.83,(16.53,-9.13,;15.19,-9.9,;15.2,-11.44,;13.86,-9.13,;12.52,-9.9,;11.19,-9.13,;11.19,-7.59,;12.53,-6.82,;9.86,-6.82,;9.86,-5.28,;11.2,-4.51,;12.52,-5.28,;11.2,-2.97,;8.13,-7.82,;6.39,-6.82,;6.39,-5.28,;4.66,-7.83,;4.66,-9.36,;5.99,-10.13,;5.99,-11.67,;7.32,-12.44,;8.66,-11.67,;9.99,-12.44,;8.66,-10.13,;7.33,-9.36,;2.92,-6.82,;2.92,-5.28,;4.26,-4.52,;1.19,-4.28,;1.19,-2.75,;2.52,-1.97,;3.86,-2.74,;2.52,-.43,;3.86,.34,;1.2,.34,;1.19,1.88,;2.53,2.65,;-.14,2.65,;-.14,4.19,;1.19,4.96,;-1.48,1.88,;-2.81,2.65,;-2.81,4.19,;-4.14,1.88,;-5.48,2.64,;-5.47,4.19,;-6.81,4.96,;-4.14,4.96,;-4.15,.34,;-5.48,-.43,;-6.81,.34,;-5.48,-1.97,;-6.81,-2.74,;-8.14,-1.97,;-8.14,-.43,;-9.47,-2.74,;-4.14,-2.74,;-4.14,-4.28,;-5.48,-5.05,;-2.81,-5.05,;-2.81,-6.59,;-1.48,-7.36,;-.15,-6.59,;-1.48,-8.9,;-2.85,-9.59,;-4.14,-8.76,;-4.22,-7.22,;-5.71,-6.82,;-6.55,-8.12,;-8.07,-8.35,;-8.62,-9.79,;-7.65,-10.99,;-6.13,-10.75,;-5.58,-9.31,;-.14,-9.67,;1.19,-8.9,;1.19,-7.36,;2.53,-9.67,;2.53,-11.21,;-1.47,-4.28,;-.15,-5.05,;-1.47,-2.74,;12.53,-11.44,;13.86,-12.21,;11.19,-12.21,;11.19,-13.75,;12.53,-14.52,;13.86,-13.75,;12.53,-16.06,;11.28,-16.96,;11.76,-18.43,;13.29,-18.43,;13.77,-16.97,;15.24,-16.49,;15.64,-15,;16.65,-17.91,;16.41,-19.42,;17.78,-20.13,;18.87,-19.04,;18.18,-17.67,;19.08,-15.88,;20.62,-15.8,;18.31,-14.55,;16.78,-14.38,;16.46,-12.88,;17.8,-12.12,;18.94,-13.14,;20.31,-12.44,;21.65,-13.21,;20.31,-10.9,;21.64,-10.13,;22.97,-10.89,;24.3,-10.12,;22.98,-12.43,;24.31,-13.2,;24.32,-14.74,;25.65,-15.5,;25.66,-17.04,;26.99,-17.81,;28.33,-17.04,;28.32,-15.5,;26.99,-14.73,;25.64,-12.43,;25.64,-10.89,;26.98,-13.19,;28.31,-12.42,;29.65,-13.18,;30.98,-12.41,;28.31,-10.88,;26.97,-10.11,;29.64,-10.1,;31.05,-10.72,;32.07,-9.57,;31.3,-8.24,;29.8,-8.57,;28.51,-7.72,;27.17,-8.47,;28.53,-6.17,;29.88,-5.42,;31.2,-6.21,;32.54,-5.45,;32.56,-3.91,;33.91,-3.16,;35.23,-3.95,;35.21,-5.49,;33.87,-6.24,;29.9,-3.88,;31.24,-3.12,;28.57,-3.1,;28.59,-1.55,;29.93,-.8,;29.95,.74,;28.63,1.53,;28.65,3.07,;29.99,3.82,;30.01,5.36,;31.32,3.03,;27.27,-.77,;27.29,.77,;25.92,-1.52,)|
Show InChI InChI=1S/C107H153N27O26/c1-57(2)42-70(123-93(147)71(43-58(3)4)124-95(149)74(47-64-33-35-66(138)36-34-64)121-86(141)52-115-91(145)60(7)118-100(154)78(55-135)128-98(152)77(49-84(109)139)125-94(148)72(44-59(5)6)127-103(157)89(61(8)137)130-99(153)76(119-85(140)50-108)48-65-51-114-68-27-16-15-26-67(65)68)92(146)117-54-88(143)131-38-20-31-82(131)105(159)134-41-21-32-83(134)106(160)133-40-18-29-80(133)101(155)116-53-87(142)120-73(45-62-22-11-9-12-23-62)96(150)129-79(56-136)104(158)132-39-19-30-81(132)102(156)126-75(46-63-24-13-10-14-25-63)97(151)122-69(90(110)144)28-17-37-113-107(111)112/h9-16,22-27,33-36,51,57-61,69-83,89,114,135-138H,17-21,28-32,37-50,52-56,108H2,1-8H3,(H2,109,139)(H2,110,144)(H,115,145)(H,116,155)(H,117,146)(H,118,154)(H,119,140)(H,120,142)(H,121,141)(H,122,151)(H,123,147)(H,124,149)(H,125,148)(H,126,156)(H,127,157)(H,128,152)(H,129,150)(H,130,153)(H4,111,112,113)/t60-,61+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85070
PNG
(Galanin, Porcine)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(N)=O |(22.15,12.84,;20.71,12.32,;20.44,10.8,;21.61,9.81,;18.99,10.28,;18.72,8.76,;19.9,7.77,;21.34,8.3,;19.63,6.25,;18.18,5.73,;20.8,5.26,;20.53,3.75,;19.09,3.22,;21.71,2.75,;21.44,1.24,;19.99,.71,;18.72,1.58,;17.5,.63,;18.03,-.82,;19.57,-.77,;23.16,3.28,;24.34,2.29,;24.07,.77,;25.79,2.81,;26.21,4.29,;27.75,4.34,;28.28,2.89,;27.06,1.95,;27.11,.41,;25.81,-.41,;28.47,-.32,;28.52,-1.86,;29.88,-2.58,;31.19,-1.77,;29.93,-4.12,;31.29,-4.85,;32.6,-4.03,;33.96,-4.76,;32.55,-2.49,;28.62,-4.93,;28.68,-6.47,;30.2,-6.69,;27.73,-7.69,;26.22,-8,;25.19,-6.86,;23.68,-7.17,;25.67,-5.39,;28.3,-9.11,;27.35,-10.33,;25.82,-10.11,;27.92,-11.76,;26.97,-12.97,;25.45,-12.75,;24.87,-11.32,;23.35,-11.1,;22.4,-12.32,;20.88,-12.1,;22.97,-13.75,;24.5,-13.96,;29.45,-11.97,;30.02,-13.4,;29.07,-14.61,;31.55,-13.62,;32.12,-15.05,;33.65,-15.26,;34.6,-14.05,;34.22,-16.69,;33.27,-17.9,;35.75,-16.91,;36.32,-18.34,;35.37,-19.55,;37.85,-18.56,;38.8,-17.34,;38.22,-15.91,;38.42,-19.98,;39.94,-20.2,;40.89,-18.99,;40.52,-21.63,;42.04,-21.85,;42.99,-20.64,;44.52,-20.85,;42.42,-19.21,;39.57,-22.84,;40.14,-24.27,;41.65,-23.95,;39.66,-25.74,;38.36,-26.55,;37,-25.82,;35.69,-26.64,;36.95,-24.28,;40.69,-26.88,;40.21,-28.35,;38.71,-28.66,;41.24,-29.49,;40.76,-30.96,;41.79,-32.1,;43.3,-31.78,;41.31,-33.57,;39.81,-33.88,;39.33,-35.35,;40.23,-36.59,;39.33,-37.83,;37.87,-37.36,;36.54,-38.13,;35.2,-37.36,;35.2,-35.82,;36.54,-35.05,;37.87,-35.82,;42.34,-34.71,;43.85,-34.39,;44.33,-32.93,;44.88,-35.54,;46.39,-35.22,;42.75,-29.17,;43.78,-30.32,;43.23,-27.71,;17.81,11.27,;16.36,10.75,;18.08,12.79,;16.9,13.78,;15.45,13.25,;14.28,14.25,;12.83,13.72,;14.55,15.76,;17.17,15.3,;15.99,16.29,;18.62,15.82,;18.89,17.34,;17.37,17.61,;16.85,19.05,;15.33,19.32,;17.84,20.23,;20.34,17.86,;21.52,16.87,;21.33,19.04,;22.85,18.77,;23.37,17.32,;24.89,17.05,;26,18.12,;27.36,17.39,;27.09,15.88,;25.56,15.66,;23.84,19.95,;25.35,19.68,;23.31,21.39,;24.31,22.57,;25.82,22.3,;26.81,23.48,;28.33,23.21,;29.32,24.39,;30.84,24.12,;31.83,25.3,;31.36,22.67,;23.78,24.02,;22.27,24.29,;24.77,25.2,;24.25,26.65,;22.73,26.92,;22.21,28.36,;25.24,27.82,;26.76,27.55,;24.72,29.27,;25.71,30.45,;27.23,30.18,;28.22,31.36,;29.73,31.09,;30.73,32.27,;30.2,33.71,;28.69,33.98,;27.69,32.81,;25.19,31.9,;26.18,33.08,;23.67,32.17,;23.14,33.62,;24.14,34.79,;23.61,36.24,;22.13,36.67,;22.08,38.21,;23.53,38.73,;24.48,37.52,;21.63,33.89,;21.1,35.33,;20.64,32.71,;19.12,32.98,;18.6,34.43,;17.42,35.42,;17.69,36.93,;15.97,34.89,;18.13,31.8,;18.65,30.35,;16.61,32.07,;15.62,30.89,;16.14,29.44,;15.15,28.27,;15.68,26.82,;14.69,25.64,;15.21,24.19,;14.1,31.16,;13.58,32.61,;13.11,29.98,;11.6,30.25,;11.07,31.7,;9.56,31.97,;9.03,33.42,;7.52,33.69,;6.52,32.51,;5.01,32.78,;7.05,31.06,;8.56,30.79,;10.6,29.08,;9.09,29.35,;11.13,27.63,;10.14,26.45,;8.62,26.72,;8.1,28.17,;7.63,25.54,;6.11,25.81,;5.59,27.26,;4.07,27.53,;3.55,28.98,;3.08,26.35,;5.12,24.63,;3.6,24.9,;5.64,23.19,;4.65,22.01,;3.14,22.28,;5.18,20.56,;4.19,19.38,;6.69,20.29,)|
Show InChI InChI=1S/C146H213N43O40/c1-15-75(10)119(187-123(207)78(13)167-129(213)101(51-84-60-154-68-162-84)182-143(227)110-31-24-42-189(110)116(200)65-161-124(208)93(43-71(2)3)173-130(214)95(45-73(6)7)174-132(216)98(49-82-34-38-88(194)39-35-82)170-114(198)63-159-122(206)77(12)166-141(225)108(66-190)186-137(221)105(55-112(150)196)179-131(215)96(46-74(8)9)183-145(229)120(79(14)192)188-140(224)100(168-113(197)58-148)50-83-59-158-90-28-20-19-27-89(83)90)144(228)184-107(57-118(203)204)139(223)180-104(54-111(149)195)136(220)178-102(52-85-61-155-69-163-85)134(218)172-92(30-23-41-157-146(152)153)127(211)185-109(67-191)142(226)176-99(47-80-25-17-16-18-26-80)133(217)177-103(53-86-62-156-70-164-86)135(219)181-106(56-117(201)202)138(222)171-91(29-21-22-40-147)126(210)175-97(48-81-32-36-87(193)37-33-81)125(209)160-64-115(199)169-94(44-72(4)5)128(212)165-76(11)121(151)205/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,158,190-194H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,195)(H2,150,196)(H2,151,205)(H,154,162)(H,155,163)(H,156,164)(H,159,206)(H,160,209)(H,161,208)(H,165,212)(H,166,225)(H,167,213)(H,168,197)(H,169,199)(H,170,198)(H,171,222)(H,172,218)(H,173,214)(H,174,216)(H,175,210)(H,176,226)(H,177,217)(H,178,220)(H,179,215)(H,180,223)(H,181,219)(H,182,227)(H,183,229)(H,184,228)(H,185,211)(H,186,221)(H,187,207)(H,188,224)(H,201,202)(H,203,204)(H4,152,153,157)
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PC cid
PC sid
UniChem
Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85072
PNG
(Galanin, Human)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O |wU:212.220,131.139,139.152,71.79,166.175,182.187,54.57,211.217,20.25,37.39,112.114,97.99,155.160,wD:202.210,102.111,123.131,93.95,81.87,174.183,160.167,60.68,186.203,4.4,12.16,43.51,29.33,218.224,(13.66,18.44,;13.66,16.9,;12.32,16.13,;14.99,16.13,;14.99,14.59,;16.32,13.82,;17.86,14.59,;17.86,16.13,;19.2,13.82,;20.53,14.59,;22.07,13.82,;22.07,12.28,;23.4,14.59,;23.4,16.13,;22.07,16.9,;22.07,18.44,;20.74,16.13,;24.74,13.82,;26.28,14.59,;26.28,16.13,;27.61,13.82,;27.61,12.28,;28.95,11.51,;28.95,9.97,;30.28,9.2,;31.61,9.97,;28.95,14.59,;30.49,13.82,;30.49,12.28,;31.82,14.59,;31.82,16.13,;33.15,16.9,;33.15,18.44,;34.49,16.13,;33.15,13.82,;32.43,3.03,;32.43,1.49,;31.1,3.8,;31.1,5.34,;32.43,6.11,;29.76,3.03,;28.22,3.8,;28.22,5.34,;26.89,3.03,;26.89,1.49,;28.22,.72,;28.22,-.82,;29.56,-1.59,;30.89,-.82,;30.89,.72,;29.56,1.49,;25.56,3.8,;24.02,3.03,;24.02,1.49,;22.68,3.8,;22.68,5.34,;24.02,6.11,;21.35,3.03,;19.81,3.8,;19.81,5.34,;18.47,3.03,;18.47,1.49,;19.81,.72,;19.81,-.82,;21.14,-1.59,;22.48,-.82,;23.81,-1.59,;22.48,.72,;17.14,3.8,;15.6,3.03,;15.6,1.49,;14.27,3.8,;14.27,5.34,;15.6,6.11,;17.01,5.49,;18.04,6.63,;17.27,7.97,;15.76,7.65,;12.93,3.03,;11.39,3.8,;11.39,5.34,;10.06,3.03,;10.06,1.49,;11.39,.72,;11.39,-.82,;12.73,1.49,;8.73,3.8,;7.19,3.03,;7.19,1.49,;5.85,3.8,;4.52,3.03,;5.24,-7.75,;5.24,-9.29,;6.57,-6.98,;7.91,-7.75,;9.45,-6.98,;9.45,-5.44,;10.78,-7.75,;10.78,-9.29,;12.12,-6.98,;13.66,-7.75,;13.66,-9.29,;14.99,-6.98,;14.99,-5.44,;13.66,-4.67,;12.25,-5.29,;11.22,-4.15,;11.99,-2.81,;13.49,-3.13,;16.32,-7.75,;17.66,-6.98,;17.66,-5.44,;18.99,-7.75,;19.15,-9.28,;20.66,-9.6,;21.43,-8.26,;20.4,-7.12,;20.72,-5.61,;19.57,-4.58,;22.18,-5.14,;23.33,-6.17,;24.79,-5.69,;25.11,-4.19,;25.94,-6.72,;27.4,-6.25,;27.72,-4.74,;29.19,-4.26,;26.58,-3.71,;25.62,-8.23,;26.76,-9.26,;28.22,-8.78,;26.44,-10.77,;24.98,-11.24,;24.65,-12.75,;23.19,-13.22,;25.8,-13.78,;27.58,-11.8,;29.05,-11.32,;29.37,-9.81,;30.19,-12.35,;29.87,-13.86,;31.02,-14.89,;30.7,-16.39,;31.84,-17.42,;33.31,-16.95,;34.45,-17.98,;33.63,-15.44,;32.48,-14.41,;31.66,-11.87,;31.98,-10.37,;30.83,-9.34,;33.44,-9.89,;33.76,-8.39,;35.23,-7.91,;35.55,-6.4,;36.37,-8.94,;36.05,-10.45,;37.84,-8.46,;38.98,-9.49,;38.66,-11,;40.45,-9.02,;40.77,-7.51,;42.23,-7.04,;41.59,-10.05,;43.06,-9.57,;43.38,-8.07,;44.2,-10.6,;43.88,-12.11,;45.02,-13.14,;44.7,-14.65,;46.49,-12.66,;45.66,-10.13,;45.98,-8.62,;44.84,-7.59,;47.45,-8.15,;47.77,-6.64,;46.62,-5.61,;46.94,-4.1,;45.16,-6.08,;48.59,-9.18,;50.06,-8.7,;50.38,-7.19,;51.2,-9.73,;52.67,-9.25,;53.81,-10.29,;53.49,-11.79,;55.28,-9.81,;55.6,-8.3,;57.06,-7.83,;58.3,-8.73,;59.54,-7.83,;59.07,-6.37,;59.85,-5.04,;59.08,-3.71,;57.54,-3.7,;56.77,-5.04,;57.53,-6.37,;56.42,-10.84,;56.1,-12.35,;54.64,-12.82,;57.25,-13.38,;56.93,-14.88,;50.88,-11.24,;49.42,-11.71,;52.03,-12.27,;6.57,-5.44,;5.24,-4.67,;7.91,-4.67,;13.66,13.82,;13.66,12.28,;12.12,14.59,;10.78,13.82,;10.78,12.28,;12.12,11.51,;9.45,11.51,;9.45,14.59,;9.45,16.13,;7.91,13.82,;6.57,14.59,;6.57,16.13,;5.24,16.9,;5.24,13.82,;3.91,14.59,;5.24,12.28,)|
Show InChI InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM50273367
PNG
((2S,3S)-2-((S)-2-((S)-2-((S)-1-(2-((S)-2-((S)-2-((...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C78H116N20O21/c1-12-41(8)64(78(118)119)96-67(107)43(10)87-69(109)56(29-47-33-81-37-85-47)93-76(116)59-18-15-23-98(59)63(105)35-84-68(108)51(24-38(2)3)90-70(110)52(25-39(4)5)91-72(112)54(27-45-19-21-48(101)22-20-45)89-62(104)34-83-66(106)42(9)86-75(115)58(36-99)95-73(113)57(30-60(80)102)92-71(111)53(26-40(6)7)94-77(117)65(44(11)100)97-74(114)55(88-61(103)31-79)28-46-32-82-50-17-14-13-16-49(46)50/h13-14,16-17,19-22,32-33,37-44,51-59,64-65,82,99-101H,12,15,18,23-31,34-36,79H2,1-11H3,(H2,80,102)(H,81,85)(H,83,106)(H,84,108)(H,86,115)(H,87,109)(H,88,103)(H,89,104)(H,90,110)(H,91,112)(H,92,111)(H,93,116)(H,94,117)(H,95,113)(H,96,107)(H,97,114)(H,118,119)/t41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM50273370
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:106.112,4.4,8.12,32.33,37.40,43.48,51.56,63.76,wD:149.157,138.145,134.142,125.131,114.119,99.104,92.96,16.25,59.60,79.83,(16.53,-9.13,;15.19,-9.9,;15.2,-11.44,;13.86,-9.13,;12.52,-9.9,;11.19,-9.13,;11.19,-7.59,;12.53,-6.82,;9.86,-6.82,;9.86,-5.28,;11.2,-4.51,;12.52,-5.28,;11.2,-2.97,;8.13,-7.82,;6.39,-6.82,;6.39,-5.28,;4.66,-7.83,;4.66,-9.36,;5.99,-10.13,;5.99,-11.67,;7.32,-12.44,;8.66,-11.67,;9.99,-12.44,;8.66,-10.13,;7.33,-9.36,;2.92,-6.82,;2.92,-5.28,;4.26,-4.52,;1.19,-4.28,;1.19,-2.75,;2.52,-1.97,;3.86,-2.74,;2.52,-.43,;3.86,.34,;1.2,.34,;1.19,1.88,;2.53,2.65,;-.14,2.65,;-.14,4.19,;1.19,4.96,;-1.48,1.88,;-2.81,2.65,;-2.81,4.19,;-4.14,1.88,;-5.48,2.64,;-5.47,4.19,;-6.81,4.96,;-4.14,4.96,;-4.15,.34,;-5.48,-.43,;-6.81,.34,;-5.48,-1.97,;-6.81,-2.74,;-8.14,-1.97,;-8.14,-.43,;-9.47,-2.74,;-4.14,-2.74,;-4.14,-4.28,;-5.48,-5.05,;-2.81,-5.05,;-2.81,-6.59,;-1.48,-7.36,;-.15,-6.59,;-1.48,-8.9,;-2.85,-9.59,;-4.14,-8.76,;-4.22,-7.22,;-5.71,-6.82,;-6.55,-8.12,;-8.07,-8.35,;-8.62,-9.79,;-7.65,-10.99,;-6.13,-10.75,;-5.58,-9.31,;-.14,-9.67,;1.19,-8.9,;1.19,-7.36,;2.53,-9.67,;2.53,-11.21,;-1.47,-4.28,;-.15,-5.05,;-1.47,-2.74,;12.53,-11.44,;13.86,-12.21,;11.19,-12.21,;11.19,-13.75,;12.53,-14.52,;13.86,-13.75,;12.53,-16.06,;11.28,-16.96,;11.76,-18.43,;13.29,-18.43,;13.77,-16.97,;15.24,-16.49,;15.64,-15,;16.65,-17.91,;16.41,-19.42,;17.78,-20.13,;18.87,-19.04,;18.18,-17.67,;19.08,-15.88,;20.62,-15.8,;18.31,-14.55,;16.78,-14.38,;16.46,-12.88,;17.8,-12.12,;18.94,-13.14,;20.31,-12.44,;21.65,-13.21,;20.31,-10.9,;21.64,-10.13,;22.97,-10.89,;24.3,-10.12,;22.98,-12.43,;24.31,-13.2,;24.32,-14.74,;25.65,-15.5,;25.66,-17.04,;26.99,-17.81,;28.33,-17.04,;28.32,-15.5,;26.99,-14.73,;25.64,-12.43,;25.64,-10.89,;26.98,-13.19,;28.31,-12.42,;29.65,-13.18,;30.98,-12.41,;28.31,-10.88,;26.97,-10.11,;29.64,-10.1,;31.05,-10.72,;32.07,-9.57,;31.3,-8.24,;29.8,-8.57,;28.51,-7.72,;27.17,-8.47,;28.53,-6.17,;29.88,-5.42,;31.2,-6.21,;32.54,-5.45,;32.56,-3.91,;33.91,-3.16,;35.23,-3.95,;35.21,-5.49,;33.87,-6.24,;29.9,-3.88,;31.24,-3.12,;28.57,-3.1,;28.59,-1.55,;29.93,-.8,;29.95,.74,;28.63,1.53,;28.65,3.07,;29.99,3.82,;30.01,5.36,;31.32,3.03,;27.27,-.77,;27.29,.77,;25.92,-1.52,)|
Show InChI InChI=1S/C107H153N27O26/c1-57(2)42-70(123-93(147)71(43-58(3)4)124-95(149)74(47-64-33-35-66(138)36-34-64)121-86(141)52-115-91(145)60(7)118-100(154)78(55-135)128-98(152)77(49-84(109)139)125-94(148)72(44-59(5)6)127-103(157)89(61(8)137)130-99(153)76(119-85(140)50-108)48-65-51-114-68-27-16-15-26-67(65)68)92(146)117-54-88(143)131-38-20-31-82(131)105(159)134-41-21-32-83(134)106(160)133-40-18-29-80(133)101(155)116-53-87(142)120-73(45-62-22-11-9-12-23-62)96(150)129-79(56-136)104(158)132-39-19-30-81(132)102(156)126-75(46-63-24-13-10-14-25-63)97(151)122-69(90(110)144)28-17-37-113-107(111)112/h9-16,22-27,33-36,51,57-61,69-83,89,114,135-138H,17-21,28-32,37-50,52-56,108H2,1-8H3,(H2,109,139)(H2,110,144)(H,115,145)(H,116,155)(H,117,146)(H,118,154)(H,119,140)(H,120,142)(H,121,141)(H,122,151)(H,123,147)(H,124,149)(H,125,148)(H,126,156)(H,127,157)(H,128,152)(H,129,150)(H,130,153)(H4,111,112,113)/t60-,61+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM85070
PNG
(Galanin, Porcine)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(N)=O |(22.15,12.84,;20.71,12.32,;20.44,10.8,;21.61,9.81,;18.99,10.28,;18.72,8.76,;19.9,7.77,;21.34,8.3,;19.63,6.25,;18.18,5.73,;20.8,5.26,;20.53,3.75,;19.09,3.22,;21.71,2.75,;21.44,1.24,;19.99,.71,;18.72,1.58,;17.5,.63,;18.03,-.82,;19.57,-.77,;23.16,3.28,;24.34,2.29,;24.07,.77,;25.79,2.81,;26.21,4.29,;27.75,4.34,;28.28,2.89,;27.06,1.95,;27.11,.41,;25.81,-.41,;28.47,-.32,;28.52,-1.86,;29.88,-2.58,;31.19,-1.77,;29.93,-4.12,;31.29,-4.85,;32.6,-4.03,;33.96,-4.76,;32.55,-2.49,;28.62,-4.93,;28.68,-6.47,;30.2,-6.69,;27.73,-7.69,;26.22,-8,;25.19,-6.86,;23.68,-7.17,;25.67,-5.39,;28.3,-9.11,;27.35,-10.33,;25.82,-10.11,;27.92,-11.76,;26.97,-12.97,;25.45,-12.75,;24.87,-11.32,;23.35,-11.1,;22.4,-12.32,;20.88,-12.1,;22.97,-13.75,;24.5,-13.96,;29.45,-11.97,;30.02,-13.4,;29.07,-14.61,;31.55,-13.62,;32.12,-15.05,;33.65,-15.26,;34.6,-14.05,;34.22,-16.69,;33.27,-17.9,;35.75,-16.91,;36.32,-18.34,;35.37,-19.55,;37.85,-18.56,;38.8,-17.34,;38.22,-15.91,;38.42,-19.98,;39.94,-20.2,;40.89,-18.99,;40.52,-21.63,;42.04,-21.85,;42.99,-20.64,;44.52,-20.85,;42.42,-19.21,;39.57,-22.84,;40.14,-24.27,;41.65,-23.95,;39.66,-25.74,;38.36,-26.55,;37,-25.82,;35.69,-26.64,;36.95,-24.28,;40.69,-26.88,;40.21,-28.35,;38.71,-28.66,;41.24,-29.49,;40.76,-30.96,;41.79,-32.1,;43.3,-31.78,;41.31,-33.57,;39.81,-33.88,;39.33,-35.35,;40.23,-36.59,;39.33,-37.83,;37.87,-37.36,;36.54,-38.13,;35.2,-37.36,;35.2,-35.82,;36.54,-35.05,;37.87,-35.82,;42.34,-34.71,;43.85,-34.39,;44.33,-32.93,;44.88,-35.54,;46.39,-35.22,;42.75,-29.17,;43.78,-30.32,;43.23,-27.71,;17.81,11.27,;16.36,10.75,;18.08,12.79,;16.9,13.78,;15.45,13.25,;14.28,14.25,;12.83,13.72,;14.55,15.76,;17.17,15.3,;15.99,16.29,;18.62,15.82,;18.89,17.34,;17.37,17.61,;16.85,19.05,;15.33,19.32,;17.84,20.23,;20.34,17.86,;21.52,16.87,;21.33,19.04,;22.85,18.77,;23.37,17.32,;24.89,17.05,;26,18.12,;27.36,17.39,;27.09,15.88,;25.56,15.66,;23.84,19.95,;25.35,19.68,;23.31,21.39,;24.31,22.57,;25.82,22.3,;26.81,23.48,;28.33,23.21,;29.32,24.39,;30.84,24.12,;31.83,25.3,;31.36,22.67,;23.78,24.02,;22.27,24.29,;24.77,25.2,;24.25,26.65,;22.73,26.92,;22.21,28.36,;25.24,27.82,;26.76,27.55,;24.72,29.27,;25.71,30.45,;27.23,30.18,;28.22,31.36,;29.73,31.09,;30.73,32.27,;30.2,33.71,;28.69,33.98,;27.69,32.81,;25.19,31.9,;26.18,33.08,;23.67,32.17,;23.14,33.62,;24.14,34.79,;23.61,36.24,;22.13,36.67,;22.08,38.21,;23.53,38.73,;24.48,37.52,;21.63,33.89,;21.1,35.33,;20.64,32.71,;19.12,32.98,;18.6,34.43,;17.42,35.42,;17.69,36.93,;15.97,34.89,;18.13,31.8,;18.65,30.35,;16.61,32.07,;15.62,30.89,;16.14,29.44,;15.15,28.27,;15.68,26.82,;14.69,25.64,;15.21,24.19,;14.1,31.16,;13.58,32.61,;13.11,29.98,;11.6,30.25,;11.07,31.7,;9.56,31.97,;9.03,33.42,;7.52,33.69,;6.52,32.51,;5.01,32.78,;7.05,31.06,;8.56,30.79,;10.6,29.08,;9.09,29.35,;11.13,27.63,;10.14,26.45,;8.62,26.72,;8.1,28.17,;7.63,25.54,;6.11,25.81,;5.59,27.26,;4.07,27.53,;3.55,28.98,;3.08,26.35,;5.12,24.63,;3.6,24.9,;5.64,23.19,;4.65,22.01,;3.14,22.28,;5.18,20.56,;4.19,19.38,;6.69,20.29,)|
Show InChI InChI=1S/C146H213N43O40/c1-15-75(10)119(187-123(207)78(13)167-129(213)101(51-84-60-154-68-162-84)182-143(227)110-31-24-42-189(110)116(200)65-161-124(208)93(43-71(2)3)173-130(214)95(45-73(6)7)174-132(216)98(49-82-34-38-88(194)39-35-82)170-114(198)63-159-122(206)77(12)166-141(225)108(66-190)186-137(221)105(55-112(150)196)179-131(215)96(46-74(8)9)183-145(229)120(79(14)192)188-140(224)100(168-113(197)58-148)50-83-59-158-90-28-20-19-27-89(83)90)144(228)184-107(57-118(203)204)139(223)180-104(54-111(149)195)136(220)178-102(52-85-61-155-69-163-85)134(218)172-92(30-23-41-157-146(152)153)127(211)185-109(67-191)142(226)176-99(47-80-25-17-16-18-26-80)133(217)177-103(53-86-62-156-70-164-86)135(219)181-106(56-117(201)202)138(222)171-91(29-21-22-40-147)126(210)175-97(48-81-32-36-87(193)37-33-81)125(209)160-64-115(199)169-94(44-72(4)5)128(212)165-76(11)121(151)205/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,158,190-194H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,195)(H2,150,196)(H2,151,205)(H,154,162)(H,155,163)(H,156,164)(H,159,206)(H,160,209)(H,161,208)(H,165,212)(H,166,225)(H,167,213)(H,168,197)(H,169,199)(H,170,198)(H,171,222)(H,172,218)(H,173,214)(H,174,216)(H,175,210)(H,176,226)(H,177,217)(H,178,220)(H,179,215)(H,180,223)(H,181,219)(H,182,227)(H,183,229)(H,184,228)(H,185,211)(H,186,221)(H,187,207)(H,188,224)(H,201,202)(H,203,204)(H4,152,153,157)
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0.460n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM50307254
PNG
(CHEMBL604990 | GWTLNSAGYLLGPPPALALA-CONH2 | M40)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C94H145N23O24/c1-46(2)33-61(82(129)100-44-76(124)115-30-19-24-71(115)93(140)117-32-20-25-72(117)94(141)116-31-18-23-70(116)91(138)104-54(14)81(128)108-63(35-48(5)6)84(131)103-53(13)80(127)107-62(34-47(3)4)83(130)101-51(11)78(97)125)109-85(132)64(36-49(7)8)110-87(134)66(38-56-26-28-58(120)29-27-56)106-75(123)43-99-79(126)52(12)102-90(137)69(45-118)113-88(135)68(40-73(96)121)111-86(133)65(37-50(9)10)112-92(139)77(55(15)119)114-89(136)67(105-74(122)41-95)39-57-42-98-60-22-17-16-21-59(57)60/h16-17,21-22,26-29,42,46-55,61-72,77,98,118-120H,18-20,23-25,30-41,43-45,95H2,1-15H3,(H2,96,121)(H2,97,125)(H,99,126)(H,100,129)(H,101,130)(H,102,137)(H,103,131)(H,104,138)(H,105,122)(H,106,123)(H,107,127)(H,108,128)(H,109,132)(H,110,134)(H,111,133)(H,112,139)(H,113,135)(H,114,136)/t51-,52-,53-,54-,55+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85073
PNG
(CAS_3043476 | Galantide (M15) | NSC_3043476)
Show SMILES COc1ccccc1N(CCOc1ccc(C)cc1)C(=O)CN1CCCCC1
Show InChI InChI=1S/C23H30N2O3/c1-19-10-12-20(13-11-19)28-17-16-25(21-8-4-5-9-22(21)27-2)23(26)18-24-14-6-3-7-15-24/h4-5,8-13H,3,6-7,14-18H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM85072
PNG
(Galanin, Human)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O |wU:212.220,131.139,139.152,71.79,166.175,182.187,54.57,211.217,20.25,37.39,112.114,97.99,155.160,wD:202.210,102.111,123.131,93.95,81.87,174.183,160.167,60.68,186.203,4.4,12.16,43.51,29.33,218.224,(13.66,18.44,;13.66,16.9,;12.32,16.13,;14.99,16.13,;14.99,14.59,;16.32,13.82,;17.86,14.59,;17.86,16.13,;19.2,13.82,;20.53,14.59,;22.07,13.82,;22.07,12.28,;23.4,14.59,;23.4,16.13,;22.07,16.9,;22.07,18.44,;20.74,16.13,;24.74,13.82,;26.28,14.59,;26.28,16.13,;27.61,13.82,;27.61,12.28,;28.95,11.51,;28.95,9.97,;30.28,9.2,;31.61,9.97,;28.95,14.59,;30.49,13.82,;30.49,12.28,;31.82,14.59,;31.82,16.13,;33.15,16.9,;33.15,18.44,;34.49,16.13,;33.15,13.82,;32.43,3.03,;32.43,1.49,;31.1,3.8,;31.1,5.34,;32.43,6.11,;29.76,3.03,;28.22,3.8,;28.22,5.34,;26.89,3.03,;26.89,1.49,;28.22,.72,;28.22,-.82,;29.56,-1.59,;30.89,-.82,;30.89,.72,;29.56,1.49,;25.56,3.8,;24.02,3.03,;24.02,1.49,;22.68,3.8,;22.68,5.34,;24.02,6.11,;21.35,3.03,;19.81,3.8,;19.81,5.34,;18.47,3.03,;18.47,1.49,;19.81,.72,;19.81,-.82,;21.14,-1.59,;22.48,-.82,;23.81,-1.59,;22.48,.72,;17.14,3.8,;15.6,3.03,;15.6,1.49,;14.27,3.8,;14.27,5.34,;15.6,6.11,;17.01,5.49,;18.04,6.63,;17.27,7.97,;15.76,7.65,;12.93,3.03,;11.39,3.8,;11.39,5.34,;10.06,3.03,;10.06,1.49,;11.39,.72,;11.39,-.82,;12.73,1.49,;8.73,3.8,;7.19,3.03,;7.19,1.49,;5.85,3.8,;4.52,3.03,;5.24,-7.75,;5.24,-9.29,;6.57,-6.98,;7.91,-7.75,;9.45,-6.98,;9.45,-5.44,;10.78,-7.75,;10.78,-9.29,;12.12,-6.98,;13.66,-7.75,;13.66,-9.29,;14.99,-6.98,;14.99,-5.44,;13.66,-4.67,;12.25,-5.29,;11.22,-4.15,;11.99,-2.81,;13.49,-3.13,;16.32,-7.75,;17.66,-6.98,;17.66,-5.44,;18.99,-7.75,;19.15,-9.28,;20.66,-9.6,;21.43,-8.26,;20.4,-7.12,;20.72,-5.61,;19.57,-4.58,;22.18,-5.14,;23.33,-6.17,;24.79,-5.69,;25.11,-4.19,;25.94,-6.72,;27.4,-6.25,;27.72,-4.74,;29.19,-4.26,;26.58,-3.71,;25.62,-8.23,;26.76,-9.26,;28.22,-8.78,;26.44,-10.77,;24.98,-11.24,;24.65,-12.75,;23.19,-13.22,;25.8,-13.78,;27.58,-11.8,;29.05,-11.32,;29.37,-9.81,;30.19,-12.35,;29.87,-13.86,;31.02,-14.89,;30.7,-16.39,;31.84,-17.42,;33.31,-16.95,;34.45,-17.98,;33.63,-15.44,;32.48,-14.41,;31.66,-11.87,;31.98,-10.37,;30.83,-9.34,;33.44,-9.89,;33.76,-8.39,;35.23,-7.91,;35.55,-6.4,;36.37,-8.94,;36.05,-10.45,;37.84,-8.46,;38.98,-9.49,;38.66,-11,;40.45,-9.02,;40.77,-7.51,;42.23,-7.04,;41.59,-10.05,;43.06,-9.57,;43.38,-8.07,;44.2,-10.6,;43.88,-12.11,;45.02,-13.14,;44.7,-14.65,;46.49,-12.66,;45.66,-10.13,;45.98,-8.62,;44.84,-7.59,;47.45,-8.15,;47.77,-6.64,;46.62,-5.61,;46.94,-4.1,;45.16,-6.08,;48.59,-9.18,;50.06,-8.7,;50.38,-7.19,;51.2,-9.73,;52.67,-9.25,;53.81,-10.29,;53.49,-11.79,;55.28,-9.81,;55.6,-8.3,;57.06,-7.83,;58.3,-8.73,;59.54,-7.83,;59.07,-6.37,;59.85,-5.04,;59.08,-3.71,;57.54,-3.7,;56.77,-5.04,;57.53,-6.37,;56.42,-10.84,;56.1,-12.35,;54.64,-12.82,;57.25,-13.38,;56.93,-14.88,;50.88,-11.24,;49.42,-11.71,;52.03,-12.27,;6.57,-5.44,;5.24,-4.67,;7.91,-4.67,;13.66,13.82,;13.66,12.28,;12.12,14.59,;10.78,13.82,;10.78,12.28,;12.12,11.51,;9.45,11.51,;9.45,14.59,;9.45,16.13,;7.91,13.82,;6.57,14.59,;6.57,16.13,;5.24,16.9,;5.24,13.82,;3.91,14.59,;5.24,12.28,)|
Show InChI InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM50307254
PNG
(CHEMBL604990 | GWTLNSAGYLLGPPPALALA-CONH2 | M40)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C94H145N23O24/c1-46(2)33-61(82(129)100-44-76(124)115-30-19-24-71(115)93(140)117-32-20-25-72(117)94(141)116-31-18-23-70(116)91(138)104-54(14)81(128)108-63(35-48(5)6)84(131)103-53(13)80(127)107-62(34-47(3)4)83(130)101-51(11)78(97)125)109-85(132)64(36-49(7)8)110-87(134)66(38-56-26-28-58(120)29-27-56)106-75(123)43-99-79(126)52(12)102-90(137)69(45-118)113-88(135)68(40-73(96)121)111-86(133)65(37-50(9)10)112-92(139)77(55(15)119)114-89(136)67(105-74(122)41-95)39-57-42-98-60-22-17-16-21-59(57)60/h16-17,21-22,26-29,42,46-55,61-72,77,98,118-120H,18-20,23-25,30-41,43-45,95H2,1-15H3,(H2,96,121)(H2,97,125)(H,99,126)(H,100,129)(H,101,130)(H,102,137)(H,103,131)(H,104,138)(H,105,122)(H,106,123)(H,107,127)(H,108,128)(H,109,132)(H,110,134)(H,111,133)(H,112,139)(H,113,135)(H,114,136)/t51-,52-,53-,54-,55+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM85069
PNG
(Galanin (2-29), rat | Galanin Porcine 2-29)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CC(C)C)C(N)=O |(19.65,4.85,;18.2,4.33,;17.93,2.81,;19.11,1.82,;16.48,2.29,;16.21,.77,;17.39,-.22,;18.84,.3,;17.12,-1.74,;15.67,-2.26,;18.3,-2.73,;18.03,-4.24,;16.58,-4.77,;19.21,-5.24,;18.94,-6.75,;17.49,-7.28,;16.22,-6.41,;15,-7.36,;15.52,-8.81,;17.06,-8.76,;20.66,-4.71,;21.83,-5.7,;21.56,-7.22,;23.28,-5.18,;23.71,-3.7,;25.25,-3.65,;25.77,-5.1,;24.56,-6.04,;24.61,-7.58,;23.3,-8.4,;25.97,-8.31,;26.02,-9.85,;27.38,-10.57,;28.68,-9.76,;27.43,-12.11,;28.79,-12.84,;30.09,-12.02,;31.45,-12.75,;30.04,-10.48,;26.12,-12.93,;26.17,-14.46,;27.7,-14.68,;25.22,-15.68,;23.72,-15.99,;22.69,-14.85,;21.18,-15.17,;23.16,-13.38,;25.8,-17.11,;24.85,-18.32,;23.32,-18.1,;25.42,-19.75,;24.47,-20.96,;22.95,-20.74,;22,-21.95,;20.47,-21.74,;19.9,-20.31,;18.37,-20.09,;20.85,-19.1,;22.37,-19.31,;26.95,-19.96,;27.52,-21.39,;26.57,-22.6,;29.04,-21.61,;29.62,-23.04,;31.14,-23.26,;32.09,-22.04,;31.72,-24.68,;30.77,-25.9,;33.24,-24.9,;33.82,-26.33,;32.87,-27.54,;35.34,-26.55,;36.29,-25.34,;35.72,-23.91,;35.92,-27.98,;37.44,-28.19,;38.39,-26.98,;38.02,-29.62,;39.54,-29.84,;40.49,-28.63,;42.01,-28.84,;39.92,-27.2,;37.06,-30.83,;37.64,-32.26,;39.15,-31.95,;37.16,-33.73,;35.85,-34.54,;34.5,-33.82,;33.19,-34.63,;34.44,-32.28,;38.19,-34.87,;37.71,-36.34,;36.2,-36.65,;38.74,-37.48,;38.26,-38.95,;39.29,-40.09,;40.8,-39.78,;38.81,-41.56,;39.84,-42.7,;37.3,-41.87,;36.83,-43.34,;37.72,-44.58,;36.83,-45.82,;35.37,-45.35,;34.03,-46.12,;32.7,-45.35,;32.7,-43.81,;34.03,-43.04,;35.37,-43.81,;40.25,-37.17,;41.27,-38.31,;40.72,-35.7,;15.31,3.28,;13.86,2.76,;15.58,4.8,;14.4,5.79,;12.95,5.26,;11.77,6.26,;10.32,5.73,;12.04,7.77,;14.67,7.3,;13.49,8.3,;16.12,7.83,;16.39,9.34,;14.94,9.87,;14.68,11.39,;13.23,11.92,;15.86,12.38,;17.84,9.87,;19.01,8.88,;18.61,11.2,;20.15,11.2,;20.92,9.86,;22.46,9.86,;23.36,11.1,;24.83,10.63,;24.82,9.09,;23.36,8.61,;20.92,12.53,;22.46,12.53,;20.15,13.87,;20.92,15.2,;22.46,15.2,;23.24,16.53,;24.78,16.52,;25.55,17.86,;27.09,17.85,;27.86,19.19,;27.86,16.52,;20.16,16.53,;18.62,16.54,;20.93,17.87,;20.16,19.2,;18.62,19.2,;17.85,20.54,;20.93,20.53,;22.47,20.53,;20.17,21.87,;20.94,23.2,;22.48,23.2,;23.25,24.53,;22.48,25.86,;23.26,27.2,;24.8,27.19,;25.56,25.86,;24.79,24.53,;20.17,24.54,;20.94,25.87,;18.63,24.54,;17.86,25.87,;18.64,27.21,;17.87,28.54,;16.32,25.88,;15.55,24.54,;15.56,27.21,;14.02,27.21,;13.24,25.88,;11.7,25.88,;10.93,24.55,;10.93,27.22,;13.25,28.55,;11.71,28.55,;14.02,29.88,;13.25,31.22,;11.71,31.22,;10.94,32.55,;9.4,32.56,;8.64,33.89,;7.1,33.89,;14.02,32.55,;15.56,32.55,;13.26,33.88,;14.03,35.22,;15.57,35.21,;16.34,36.55,;15.72,37.95,;16.86,38.98,;18.2,38.21,;17.87,36.7,;13.26,36.55,;14.03,37.88,;11.72,36.55,;10.95,37.89,;9.41,37.89,;8.64,36.56,;8.65,39.23,;7.11,39.23,;6.33,37.9,;4.79,37.9,;4.02,36.57,;4.03,39.23,;6.34,40.56,;7.11,41.9,;4.8,40.57,)|
Show InChI InChI=1S/C135H201N41O38/c1-14-69(10)109(133(213)170-97(51-108(189)190)128(208)166-94(48-102(138)182)125(205)164-93(47-78-55-145-64-153-78)124(204)159-84(29-22-36-146-135(141)142)118(198)171-99(60-178)130(210)162-90(42-73-24-16-15-17-25-73)123(203)173-100(61-179)131(211)167-96(50-107(187)188)127(207)158-83(28-20-21-35-136)117(197)163-91(45-76-53-143-62-151-76)116(196)149-57-104(184)156-85(111(140)191)38-65(2)3)174-113(193)71(12)155-119(199)92(46-77-54-144-63-152-77)168-132(212)101-30-23-37-176(101)106(186)58-150-115(195)86(39-66(4)5)160-120(200)87(40-67(6)7)161-122(202)89(43-74-31-33-79(181)34-32-74)157-105(185)56-148-112(192)70(11)154-129(209)98(59-177)172-126(206)95(49-103(139)183)165-121(201)88(41-68(8)9)169-134(214)110(72(13)180)175-114(194)81(137)44-75-52-147-82-27-19-18-26-80(75)82/h15-19,24-27,31-34,52-55,62-72,81,83-101,109-110,147,177-181H,14,20-23,28-30,35-51,56-61,136-137H2,1-13H3,(H2,138,182)(H2,139,183)(H2,140,191)(H,143,151)(H,144,152)(H,145,153)(H,148,192)(H,149,196)(H,150,195)(H,154,209)(H,155,199)(H,156,184)(H,157,185)(H,158,207)(H,159,204)(H,160,200)(H,161,202)(H,162,210)(H,163,197)(H,164,205)(H,165,201)(H,166,208)(H,167,211)(H,168,212)(H,169,214)(H,170,213)(H,171,198)(H,172,206)(H,173,203)(H,174,193)(H,175,194)(H,187,188)(H,189,190)(H4,141,142,146)
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2.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM50273367
PNG
((2S,3S)-2-((S)-2-((S)-2-((S)-1-(2-((S)-2-((S)-2-((...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C78H116N20O21/c1-12-41(8)64(78(118)119)96-67(107)43(10)87-69(109)56(29-47-33-81-37-85-47)93-76(116)59-18-15-23-98(59)63(105)35-84-68(108)51(24-38(2)3)90-70(110)52(25-39(4)5)91-72(112)54(27-45-19-21-48(101)22-20-45)89-62(104)34-83-66(106)42(9)86-75(115)58(36-99)95-73(113)57(30-60(80)102)92-71(111)53(26-40(6)7)94-77(117)65(44(11)100)97-74(114)55(88-61(103)31-79)28-46-32-82-50-17-14-13-16-49(46)50/h13-14,16-17,19-22,32-33,37-44,51-59,64-65,82,99-101H,12,15,18,23-31,34-36,79H2,1-11H3,(H2,80,102)(H,81,85)(H,83,106)(H,84,108)(H,86,115)(H,87,109)(H,88,103)(H,89,104)(H,90,110)(H,91,112)(H,92,111)(H,93,116)(H,94,117)(H,95,113)(H,96,107)(H,97,114)(H,118,119)/t41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85069
PNG
(Galanin (2-29), rat | Galanin Porcine 2-29)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CC(C)C)C(N)=O |(19.65,4.85,;18.2,4.33,;17.93,2.81,;19.11,1.82,;16.48,2.29,;16.21,.77,;17.39,-.22,;18.84,.3,;17.12,-1.74,;15.67,-2.26,;18.3,-2.73,;18.03,-4.24,;16.58,-4.77,;19.21,-5.24,;18.94,-6.75,;17.49,-7.28,;16.22,-6.41,;15,-7.36,;15.52,-8.81,;17.06,-8.76,;20.66,-4.71,;21.83,-5.7,;21.56,-7.22,;23.28,-5.18,;23.71,-3.7,;25.25,-3.65,;25.77,-5.1,;24.56,-6.04,;24.61,-7.58,;23.3,-8.4,;25.97,-8.31,;26.02,-9.85,;27.38,-10.57,;28.68,-9.76,;27.43,-12.11,;28.79,-12.84,;30.09,-12.02,;31.45,-12.75,;30.04,-10.48,;26.12,-12.93,;26.17,-14.46,;27.7,-14.68,;25.22,-15.68,;23.72,-15.99,;22.69,-14.85,;21.18,-15.17,;23.16,-13.38,;25.8,-17.11,;24.85,-18.32,;23.32,-18.1,;25.42,-19.75,;24.47,-20.96,;22.95,-20.74,;22,-21.95,;20.47,-21.74,;19.9,-20.31,;18.37,-20.09,;20.85,-19.1,;22.37,-19.31,;26.95,-19.96,;27.52,-21.39,;26.57,-22.6,;29.04,-21.61,;29.62,-23.04,;31.14,-23.26,;32.09,-22.04,;31.72,-24.68,;30.77,-25.9,;33.24,-24.9,;33.82,-26.33,;32.87,-27.54,;35.34,-26.55,;36.29,-25.34,;35.72,-23.91,;35.92,-27.98,;37.44,-28.19,;38.39,-26.98,;38.02,-29.62,;39.54,-29.84,;40.49,-28.63,;42.01,-28.84,;39.92,-27.2,;37.06,-30.83,;37.64,-32.26,;39.15,-31.95,;37.16,-33.73,;35.85,-34.54,;34.5,-33.82,;33.19,-34.63,;34.44,-32.28,;38.19,-34.87,;37.71,-36.34,;36.2,-36.65,;38.74,-37.48,;38.26,-38.95,;39.29,-40.09,;40.8,-39.78,;38.81,-41.56,;39.84,-42.7,;37.3,-41.87,;36.83,-43.34,;37.72,-44.58,;36.83,-45.82,;35.37,-45.35,;34.03,-46.12,;32.7,-45.35,;32.7,-43.81,;34.03,-43.04,;35.37,-43.81,;40.25,-37.17,;41.27,-38.31,;40.72,-35.7,;15.31,3.28,;13.86,2.76,;15.58,4.8,;14.4,5.79,;12.95,5.26,;11.77,6.26,;10.32,5.73,;12.04,7.77,;14.67,7.3,;13.49,8.3,;16.12,7.83,;16.39,9.34,;14.94,9.87,;14.68,11.39,;13.23,11.92,;15.86,12.38,;17.84,9.87,;19.01,8.88,;18.61,11.2,;20.15,11.2,;20.92,9.86,;22.46,9.86,;23.36,11.1,;24.83,10.63,;24.82,9.09,;23.36,8.61,;20.92,12.53,;22.46,12.53,;20.15,13.87,;20.92,15.2,;22.46,15.2,;23.24,16.53,;24.78,16.52,;25.55,17.86,;27.09,17.85,;27.86,19.19,;27.86,16.52,;20.16,16.53,;18.62,16.54,;20.93,17.87,;20.16,19.2,;18.62,19.2,;17.85,20.54,;20.93,20.53,;22.47,20.53,;20.17,21.87,;20.94,23.2,;22.48,23.2,;23.25,24.53,;22.48,25.86,;23.26,27.2,;24.8,27.19,;25.56,25.86,;24.79,24.53,;20.17,24.54,;20.94,25.87,;18.63,24.54,;17.86,25.87,;18.64,27.21,;17.87,28.54,;16.32,25.88,;15.55,24.54,;15.56,27.21,;14.02,27.21,;13.24,25.88,;11.7,25.88,;10.93,24.55,;10.93,27.22,;13.25,28.55,;11.71,28.55,;14.02,29.88,;13.25,31.22,;11.71,31.22,;10.94,32.55,;9.4,32.56,;8.64,33.89,;7.1,33.89,;14.02,32.55,;15.56,32.55,;13.26,33.88,;14.03,35.22,;15.57,35.21,;16.34,36.55,;15.72,37.95,;16.86,38.98,;18.2,38.21,;17.87,36.7,;13.26,36.55,;14.03,37.88,;11.72,36.55,;10.95,37.89,;9.41,37.89,;8.64,36.56,;8.65,39.23,;7.11,39.23,;6.33,37.9,;4.79,37.9,;4.02,36.57,;4.03,39.23,;6.34,40.56,;7.11,41.9,;4.8,40.57,)|
Show InChI InChI=1S/C135H201N41O38/c1-14-69(10)109(133(213)170-97(51-108(189)190)128(208)166-94(48-102(138)182)125(205)164-93(47-78-55-145-64-153-78)124(204)159-84(29-22-36-146-135(141)142)118(198)171-99(60-178)130(210)162-90(42-73-24-16-15-17-25-73)123(203)173-100(61-179)131(211)167-96(50-107(187)188)127(207)158-83(28-20-21-35-136)117(197)163-91(45-76-53-143-62-151-76)116(196)149-57-104(184)156-85(111(140)191)38-65(2)3)174-113(193)71(12)155-119(199)92(46-77-54-144-63-152-77)168-132(212)101-30-23-37-176(101)106(186)58-150-115(195)86(39-66(4)5)160-120(200)87(40-67(6)7)161-122(202)89(43-74-31-33-79(181)34-32-74)157-105(185)56-148-112(192)70(11)154-129(209)98(59-177)172-126(206)95(49-103(139)183)165-121(201)88(41-68(8)9)169-134(214)110(72(13)180)175-114(194)81(137)44-75-52-147-82-27-19-18-26-80(75)82/h15-19,24-27,31-34,52-55,62-72,81,83-101,109-110,147,177-181H,14,20-23,28-30,35-51,56-61,136-137H2,1-13H3,(H2,138,182)(H2,139,183)(H2,140,191)(H,143,151)(H,144,152)(H,145,153)(H,148,192)(H,149,196)(H,150,195)(H,154,209)(H,155,199)(H,156,184)(H,157,185)(H,158,207)(H,159,204)(H,160,200)(H,161,202)(H,162,210)(H,163,197)(H,164,205)(H,165,201)(H,166,208)(H,167,211)(H,168,212)(H,169,214)(H,170,213)(H,171,198)(H,172,206)(H,173,203)(H,174,193)(H,175,194)(H,187,188)(H,189,190)(H4,141,142,146)
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PC cid
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7.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1 |wU:79.83,114.118,96.99,139.144,4.4,16.25,164.176,51.56,37.40,63.76,110.115,126.132,92.96,wD:130.135,148.153,8.12,172.184,180.200,194.204,43.48,59.60,32.33,(17.09,11.7,;17.76,10.31,;16.89,9.03,;19.29,10.2,;19.97,8.81,;19.1,7.54,;19.78,6.15,;21.31,6.04,;18.91,4.88,;19.59,3.49,;21.12,3.38,;21.79,2,;21.99,4.66,;17.38,4.99,;16.51,3.71,;17.19,2.33,;14.98,3.82,;14.3,5.21,;12.77,5.32,;12.1,6.7,;10.56,6.81,;9.7,5.54,;8.16,5.65,;10.37,4.15,;11.91,4.04,;14.11,2.55,;14.79,1.16,;16.32,1.05,;13.92,-.11,;14.6,-1.5,;13.73,-2.77,;12.2,-2.66,;14.41,-4.16,;15.94,-4.27,;13.54,-5.43,;14.21,-6.82,;15.75,-6.93,;13.35,-8.09,;11.82,-7.98,;10.95,-9.26,;14.02,-9.48,;13.16,-10.75,;11.62,-10.64,;13.83,-12.14,;15.37,-12.25,;16.04,-13.64,;17.58,-13.75,;15.18,-14.91,;12.97,-13.42,;11.43,-13.31,;10.76,-11.92,;10.57,-14.58,;9.03,-14.47,;8.36,-13.09,;6.83,-12.98,;9.22,-11.81,;11.24,-15.97,;10.38,-17.24,;8.84,-17.13,;11.05,-18.63,;10.19,-19.9,;10.86,-21.29,;12.4,-21.4,;10,-22.56,;8.46,-22.45,;7.6,-23.73,;8.12,-25.17,;6.92,-26.11,;5.64,-25.26,;4.15,-25.63,;3.08,-24.52,;3.5,-23.04,;5,-22.67,;6.07,-23.78,;10.67,-23.95,;12.21,-24.06,;13.07,-22.78,;12.88,-25.44,;14.42,-25.55,;12.59,-18.74,;13.45,-17.46,;13.26,-20.12,;21.5,8.7,;22.18,7.32,;22.37,9.98,;23.9,9.87,;24.77,11.14,;26.3,11.03,;24.09,12.53,;22.58,12.8,;22.37,14.33,;23.75,15,;24.82,13.89,;26.34,14.1,;27.29,12.89,;26.92,15.53,;28.45,15.74,;29.4,14.52,;28.82,13.1,;29.76,11.88,;29.18,10.45,;30.13,9.24,;29.55,7.81,;31.65,9.45,;29.03,17.17,;30.55,17.38,;28.08,18.38,;26.54,18.33,;26.02,19.78,;27.23,20.72,;28.51,19.86,;29.96,20.38,;30.23,21.9,;31.14,19.39,;32.58,19.92,;32.85,21.43,;31.68,22.43,;31.95,23.94,;30.77,24.93,;31.04,26.45,;33.76,18.93,;33.49,17.41,;35.21,19.45,;35.64,20.93,;37.18,20.98,;37.7,19.53,;36.48,18.59,;36.54,17.05,;35.23,16.23,;37.89,16.32,;37.95,14.78,;36.64,13.97,;35.28,14.69,;33.97,13.88,;32.61,14.61,;34.02,12.34,;39.3,14.06,;40.61,14.87,;39.36,12.52,;40.71,11.79,;42.02,12.61,;41.97,14.15,;43.28,14.96,;43.23,16.5,;44.64,14.23,;40.76,10.25,;39.46,9.44,;42.12,9.53,;42.17,7.99,;43.53,7.26,;44.84,8.08,;44.95,9.6,;46.43,9.98,;47.25,8.68,;48.76,8.41,;49.29,6.97,;48.3,5.79,;46.79,6.05,;46.26,7.5,;40.87,7.17,;39.51,7.9,;40.92,5.64,;39.61,4.82,;38.25,5.55,;39.66,3.28,;38.35,2.47,;37,3.19,;35.69,2.38,;36.94,4.73,;41.02,2.56,;41.07,1.02,;39.56,.7,;42.1,-.13,;43.62,-.35,;44.57,.87,;46.1,.65,;44,2.3,;41.62,-1.59,;42.65,-2.74,;44.16,-2.42,;42.17,-4.2,;40.66,-4.52,;40.19,-5.98,;41.08,-7.22,;40.19,-8.46,;38.73,-7.99,;37.4,-8.76,;36.06,-7.99,;36.06,-6.45,;37.4,-5.68,;38.73,-6.45,;43.2,-5.35,;44.71,-5.03,;45.19,-3.57,;45.74,-6.18,;45.26,-7.64,;47.24,-5.86,;48.27,-7.01,;47.79,-8.47,;48.82,-9.62,;50.33,-9.3,;50.81,-7.83,;49.78,-6.69,)|
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM85073
PNG
(CAS_3043476 | Galantide (M15) | NSC_3043476)
Show SMILES COc1ccccc1N(CCOc1ccc(C)cc1)C(=O)CN1CCCCC1
Show InChI InChI=1S/C23H30N2O3/c1-19-10-12-20(13-11-19)28-17-16-25(21-8-4-5-9-22(21)27-2)23(26)18-24-14-6-3-7-15-24/h4-5,8-13H,3,6-7,14-18H2,1-2H3
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM85071
PNG
(Galanin (3-29), rat)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)O)C(O)=O |wU:208.216,92.95,4.4,8.12,107.111,118.122,43.48,59.60,136.141,63.64,199.205,187.193,153.158,170.176,32.33,wD:75.79,16.25,126.130,51.56,37.40,147.152,178.184,207.213,164.170,88.92,102.107,(13.72,-6.64,;14.86,-5.61,;14.54,-4.1,;16.33,-6.08,;17.47,-5.05,;18.94,-5.53,;19.26,-7.04,;18.11,-8.07,;20.72,-7.51,;21.04,-9.02,;19.9,-10.05,;20.22,-11.56,;18.43,-9.57,;21.86,-6.48,;23.33,-6.96,;23.65,-8.46,;24.47,-5.93,;24.15,-4.42,;25.3,-3.39,;26.76,-3.87,;27.91,-2.84,;27.59,-1.33,;28.73,-.3,;26.12,-.85,;24.98,-1.88,;25.94,-6.4,;26.26,-7.91,;25.11,-8.94,;27.72,-8.39,;28.04,-9.89,;29.51,-10.37,;30.65,-9.34,;29.83,-11.87,;28.68,-12.9,;31.29,-12.35,;31.61,-13.86,;30.47,-14.89,;33.08,-14.33,;34.22,-13.3,;35.69,-13.78,;33.4,-15.84,;34.86,-16.31,;36.01,-15.28,;35.18,-17.82,;34.04,-18.85,;34.36,-20.36,;33.21,-21.39,;35.82,-20.83,;36.65,-18.3,;37.79,-17.27,;37.47,-15.76,;39.26,-17.74,;40.4,-16.71,;40.08,-15.21,;41.23,-14.18,;38.62,-14.73,;39.58,-19.25,;41.04,-19.72,;42.19,-18.69,;41.36,-21.23,;42.83,-21.71,;43.15,-23.21,;42,-24.24,;44.61,-23.69,;45.76,-22.66,;44.93,-25.2,;46.4,-25.67,;47.63,-24.77,;48.87,-25.67,;48.41,-27.13,;49.18,-28.46,;48.41,-29.79,;46.87,-29.8,;46.1,-28.46,;46.87,-27.13,;40.22,-22.26,;38.75,-21.79,;40.54,-23.77,;17.15,-3.55,;15.69,-3.07,;18.29,-2.52,;17.97,-1.01,;16.51,-.54,;15.37,-1.57,;16.19,.97,;17.22,2.12,;16.45,3.45,;14.94,3.13,;14.78,1.6,;13.45,.83,;13.45,-.71,;12.12,1.6,;10.78,.83,;10.78,-.71,;9.45,-1.48,;9.29,-3.01,;7.78,-3.33,;7.01,-2,;8.04,-.86,;9.45,1.6,;9.45,3.14,;7.91,.83,;6.57,1.6,;6.57,3.14,;5.24,.83,;5.24,-.71,;4.52,11.61,;5.85,12.38,;5.85,13.92,;4.52,14.69,;7.19,14.69,;7.19,11.61,;7.19,10.07,;8.73,12.38,;10.06,11.61,;11.39,12.38,;11.39,13.92,;12.93,11.61,;14.27,12.38,;14.27,13.92,;15.6,14.69,;15.6,16.23,;16.93,13.92,;15.6,11.61,;15.6,10.07,;17.14,12.38,;18.47,11.61,;18.47,10.07,;19.81,9.3,;19.97,7.77,;21.48,7.45,;22.25,8.78,;21.22,9.92,;19.81,12.38,;19.81,13.92,;21.35,11.61,;22.68,12.38,;22.68,13.92,;24.02,14.69,;24.02,16.23,;22.68,17,;22.68,18.54,;21.35,19.31,;24.02,19.31,;24.02,11.61,;24.02,10.07,;25.56,12.38,;26.89,11.61,;26.89,10.07,;28.22,9.3,;28.22,12.38,;28.22,13.92,;29.76,11.61,;31.1,12.38,;31.1,13.92,;32.43,14.69,;33.76,13.92,;35.1,14.69,;35.1,16.23,;33.76,17,;32.43,16.23,;32.43,11.61,;32.43,10.07,;33.15,22.39,;31.82,23.16,;31.82,24.7,;33.15,25.47,;30.49,22.39,;30.49,20.85,;28.95,23.16,;27.61,22.39,;27.61,20.85,;26.28,20.08,;26.28,18.54,;24.94,20.85,;26.28,23.16,;26.28,24.7,;24.74,22.39,;23.4,23.16,;23.4,24.7,;22.07,25.47,;22.07,27.01,;20.74,27.78,;20.74,29.32,;22.07,22.39,;22.07,20.85,;20.53,23.16,;19.2,22.39,;19.2,20.85,;17.86,20.08,;17.86,18.54,;16.53,20.85,;17.86,23.16,;17.86,24.7,;16.32,22.39,;14.99,23.16,;13.66,22.39,;13.66,20.85,;12.12,23.16,;10.78,22.39,;10.78,20.85,;9.45,20.08,;9.45,18.54,;8.11,20.85,;9.45,23.16,;9.45,24.7,;7.91,22.39,;6.57,23.16,;6.57,24.7,;7.91,25.47,;5.24,25.47,;5.24,22.39,;3.91,23.16,;5.24,20.85,)|
Show InChI InChI=1S/C134H202N40O40/c1-63(2)38-83(159-118(198)85(40-65(5)6)160-120(200)87(43-73-31-33-77(180)34-32-73)155-102(184)54-146-110(190)68(11)152-127(207)95(58-175)169-124(204)93(49-101(139)183)164-119(199)86(41-66(7)8)167-132(212)108(70(13)178)172-112(192)79(136)44-74-51-145-80-27-19-18-26-78(74)80)113(193)149-57-105(187)174-37-23-30-98(174)130(210)166-89(45-75-52-142-61-150-75)117(197)153-69(12)111(191)171-107(67(9)10)131(211)148-56-104(186)156-92(48-100(138)182)123(203)162-90(46-76-53-143-62-151-76)122(202)158-82(29-22-36-144-134(140)141)116(196)168-96(59-176)128(208)161-88(42-72-24-16-15-17-25-72)121(201)170-97(60-177)129(209)165-94(50-106(188)189)125(205)157-81(28-20-21-35-135)115(195)163-91(47-99(137)181)114(194)147-55-103(185)154-84(39-64(3)4)126(206)173-109(71(14)179)133(213)214/h15-19,24-27,31-34,51-53,61-71,79,81-98,107-109,145,175-180H,20-23,28-30,35-50,54-60,135-136H2,1-14H3,(H2,137,181)(H2,138,182)(H2,139,183)(H,142,150)(H,143,151)(H,146,190)(H,147,194)(H,148,211)(H,149,193)(H,152,207)(H,153,197)(H,154,185)(H,155,184)(H,156,186)(H,157,205)(H,158,202)(H,159,198)(H,160,200)(H,161,208)(H,162,203)(H,163,195)(H,164,199)(H,165,209)(H,166,210)(H,167,212)(H,168,196)(H,169,204)(H,170,201)(H,171,191)(H,172,192)(H,173,206)(H,188,189)(H,213,214)(H4,140,141,144)/t68-,69-,70+,71-,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85071
PNG
(Galanin (3-29), rat)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)O)C(O)=O |wU:208.216,92.95,4.4,8.12,107.111,118.122,43.48,59.60,136.141,63.64,199.205,187.193,153.158,170.176,32.33,wD:75.79,16.25,126.130,51.56,37.40,147.152,178.184,207.213,164.170,88.92,102.107,(13.72,-6.64,;14.86,-5.61,;14.54,-4.1,;16.33,-6.08,;17.47,-5.05,;18.94,-5.53,;19.26,-7.04,;18.11,-8.07,;20.72,-7.51,;21.04,-9.02,;19.9,-10.05,;20.22,-11.56,;18.43,-9.57,;21.86,-6.48,;23.33,-6.96,;23.65,-8.46,;24.47,-5.93,;24.15,-4.42,;25.3,-3.39,;26.76,-3.87,;27.91,-2.84,;27.59,-1.33,;28.73,-.3,;26.12,-.85,;24.98,-1.88,;25.94,-6.4,;26.26,-7.91,;25.11,-8.94,;27.72,-8.39,;28.04,-9.89,;29.51,-10.37,;30.65,-9.34,;29.83,-11.87,;28.68,-12.9,;31.29,-12.35,;31.61,-13.86,;30.47,-14.89,;33.08,-14.33,;34.22,-13.3,;35.69,-13.78,;33.4,-15.84,;34.86,-16.31,;36.01,-15.28,;35.18,-17.82,;34.04,-18.85,;34.36,-20.36,;33.21,-21.39,;35.82,-20.83,;36.65,-18.3,;37.79,-17.27,;37.47,-15.76,;39.26,-17.74,;40.4,-16.71,;40.08,-15.21,;41.23,-14.18,;38.62,-14.73,;39.58,-19.25,;41.04,-19.72,;42.19,-18.69,;41.36,-21.23,;42.83,-21.71,;43.15,-23.21,;42,-24.24,;44.61,-23.69,;45.76,-22.66,;44.93,-25.2,;46.4,-25.67,;47.63,-24.77,;48.87,-25.67,;48.41,-27.13,;49.18,-28.46,;48.41,-29.79,;46.87,-29.8,;46.1,-28.46,;46.87,-27.13,;40.22,-22.26,;38.75,-21.79,;40.54,-23.77,;17.15,-3.55,;15.69,-3.07,;18.29,-2.52,;17.97,-1.01,;16.51,-.54,;15.37,-1.57,;16.19,.97,;17.22,2.12,;16.45,3.45,;14.94,3.13,;14.78,1.6,;13.45,.83,;13.45,-.71,;12.12,1.6,;10.78,.83,;10.78,-.71,;9.45,-1.48,;9.29,-3.01,;7.78,-3.33,;7.01,-2,;8.04,-.86,;9.45,1.6,;9.45,3.14,;7.91,.83,;6.57,1.6,;6.57,3.14,;5.24,.83,;5.24,-.71,;4.52,11.61,;5.85,12.38,;5.85,13.92,;4.52,14.69,;7.19,14.69,;7.19,11.61,;7.19,10.07,;8.73,12.38,;10.06,11.61,;11.39,12.38,;11.39,13.92,;12.93,11.61,;14.27,12.38,;14.27,13.92,;15.6,14.69,;15.6,16.23,;16.93,13.92,;15.6,11.61,;15.6,10.07,;17.14,12.38,;18.47,11.61,;18.47,10.07,;19.81,9.3,;19.97,7.77,;21.48,7.45,;22.25,8.78,;21.22,9.92,;19.81,12.38,;19.81,13.92,;21.35,11.61,;22.68,12.38,;22.68,13.92,;24.02,14.69,;24.02,16.23,;22.68,17,;22.68,18.54,;21.35,19.31,;24.02,19.31,;24.02,11.61,;24.02,10.07,;25.56,12.38,;26.89,11.61,;26.89,10.07,;28.22,9.3,;28.22,12.38,;28.22,13.92,;29.76,11.61,;31.1,12.38,;31.1,13.92,;32.43,14.69,;33.76,13.92,;35.1,14.69,;35.1,16.23,;33.76,17,;32.43,16.23,;32.43,11.61,;32.43,10.07,;33.15,22.39,;31.82,23.16,;31.82,24.7,;33.15,25.47,;30.49,22.39,;30.49,20.85,;28.95,23.16,;27.61,22.39,;27.61,20.85,;26.28,20.08,;26.28,18.54,;24.94,20.85,;26.28,23.16,;26.28,24.7,;24.74,22.39,;23.4,23.16,;23.4,24.7,;22.07,25.47,;22.07,27.01,;20.74,27.78,;20.74,29.32,;22.07,22.39,;22.07,20.85,;20.53,23.16,;19.2,22.39,;19.2,20.85,;17.86,20.08,;17.86,18.54,;16.53,20.85,;17.86,23.16,;17.86,24.7,;16.32,22.39,;14.99,23.16,;13.66,22.39,;13.66,20.85,;12.12,23.16,;10.78,22.39,;10.78,20.85,;9.45,20.08,;9.45,18.54,;8.11,20.85,;9.45,23.16,;9.45,24.7,;7.91,22.39,;6.57,23.16,;6.57,24.7,;7.91,25.47,;5.24,25.47,;5.24,22.39,;3.91,23.16,;5.24,20.85,)|
Show InChI InChI=1S/C134H202N40O40/c1-63(2)38-83(159-118(198)85(40-65(5)6)160-120(200)87(43-73-31-33-77(180)34-32-73)155-102(184)54-146-110(190)68(11)152-127(207)95(58-175)169-124(204)93(49-101(139)183)164-119(199)86(41-66(7)8)167-132(212)108(70(13)178)172-112(192)79(136)44-74-51-145-80-27-19-18-26-78(74)80)113(193)149-57-105(187)174-37-23-30-98(174)130(210)166-89(45-75-52-142-61-150-75)117(197)153-69(12)111(191)171-107(67(9)10)131(211)148-56-104(186)156-92(48-100(138)182)123(203)162-90(46-76-53-143-62-151-76)122(202)158-82(29-22-36-144-134(140)141)116(196)168-96(59-176)128(208)161-88(42-72-24-16-15-17-25-72)121(201)170-97(60-177)129(209)165-94(50-106(188)189)125(205)157-81(28-20-21-35-135)115(195)163-91(47-99(137)181)114(194)147-55-103(185)154-84(39-64(3)4)126(206)173-109(71(14)179)133(213)214/h15-19,24-27,31-34,51-53,61-71,79,81-98,107-109,145,175-180H,20-23,28-30,35-50,54-60,135-136H2,1-14H3,(H2,137,181)(H2,138,182)(H2,139,183)(H,142,150)(H,143,151)(H,146,190)(H,147,194)(H,148,211)(H,149,193)(H,152,207)(H,153,197)(H,154,185)(H,155,184)(H,156,186)(H,157,205)(H,158,202)(H,159,198)(H,160,200)(H,161,208)(H,162,203)(H,163,195)(H,164,199)(H,165,209)(H,166,210)(H,167,212)(H,168,196)(H,169,204)(H,170,201)(H,171,191)(H,172,192)(H,173,206)(H,188,189)(H,213,214)(H4,140,141,144)/t68-,69-,70+,71-,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50267262
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CCCCCCCBr)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:171.183,157.163,150.152,111.120,107.109,78.87,60.67,45.52,36.43,17.17,89.96,131.140,4.4,wD:163.171,141.149,122.129,69.76,54.58,29.29,22.21,8.13,212.216,224.230,228.233,182.199,198.205,98.105,(40.77,-32.54,;40.37,-34.04,;41.48,-35.11,;38.9,-34.45,;38.5,-35.92,;37.01,-36.31,;35.9,-35.25,;36.28,-33.75,;34.41,-35.66,;34.03,-37.15,;35.12,-38.23,;34.73,-39.72,;35.84,-40.79,;35.44,-42.29,;33.31,-34.58,;31.84,-34.99,;31.44,-36.47,;30.74,-33.9,;31.12,-32.42,;29.25,-34.31,;28.16,-33.24,;28.54,-31.74,;26.67,-33.65,;26.37,-35.17,;24.68,-35.08,;24.26,-33.45,;25.66,-32.54,;25.86,-31.02,;27.27,-30.41,;24.68,-30.01,;23.25,-30.62,;22.38,-29.18,;23.48,-27.91,;25.01,-28.54,;26.37,-27.86,;27.68,-28.7,;26.46,-26.33,;27.84,-25.64,;29.13,-26.47,;29.05,-28,;30.34,-28.84,;30.26,-30.36,;25.16,-25.49,;25.25,-23.93,;23.97,-23.1,;26.62,-23.24,;27.91,-24.1,;29.3,-23.39,;30.57,-24.22,;31.96,-23.53,;33.24,-24.36,;26.7,-21.7,;28.06,-21,;29.35,-21.85,;28.14,-19.45,;26.86,-18.62,;25.51,-19.29,;29.5,-18.77,;29.6,-17.22,;28.32,-16.38,;30.96,-16.52,;32.25,-17.38,;33.64,-16.67,;34.91,-17.52,;34.86,-19,;36.3,-16.81,;31.04,-14.98,;32.4,-14.28,;33.7,-15.13,;32.48,-12.73,;31.21,-11.9,;31.3,-10.38,;30,-9.54,;30.08,-8.01,;28.79,-7.15,;33.84,-12.05,;33.93,-10.5,;32.66,-9.66,;35.3,-9.81,;36.6,-10.66,;37.97,-9.95,;39.25,-10.8,;40.65,-10.09,;41.91,-10.92,;41.83,-12.45,;43.3,-10.23,;35.38,-8.29,;34.09,-7.44,;32.73,-8.12,;34.17,-5.91,;35.54,-5.22,;36.82,-6.05,;38.22,-5.34,;38.3,-3.79,;39.48,-6.18,;32.9,-5.03,;32.94,-3.49,;34.33,-2.78,;31.65,-2.63,;30.29,-3.33,;29.01,-2.49,;27.61,-3.19,;27.53,-4.74,;26.33,-2.36,;31.73,-1.09,;30.44,-.25,;29.07,-.93,;30.52,1.27,;29.24,2.11,;27.85,1.41,;27.77,-.11,;26.58,2.25,;26.67,3.8,;25.37,4.63,;25.45,6.15,;24.16,7.01,;24.23,8.53,;25.6,9.21,;22.94,9.41,;25.19,1.54,;23.91,2.37,;24.01,3.93,;22.53,1.68,;22.45,.15,;21.08,-.53,;21,-2.09,;22.3,-2.93,;19.64,-2.77,;21.25,2.51,;19.88,1.8,;19.78,.29,;18.59,2.65,;18.68,4.18,;20.04,4.88,;20.27,6.39,;21.78,6.63,;22.49,5.31,;21.42,4.2,;17.22,1.96,;15.92,2.78,;16.01,4.34,;14.53,2.09,;14.44,.56,;15.75,-.29,;15.68,-1.81,;14.3,-2.48,;16.97,-2.66,;13.25,2.93,;11.87,2.24,;11.79,.7,;10.6,3.07,;10.73,4.59,;9.12,5.02,;8.24,3.61,;9.29,2.31,;9.02,.81,;10.24,-.12,;7.6,.2,;6.38,1.13,;6.58,2.65,;7.41,-1.33,;6.05,-2.04,;4.75,-1.22,;6,-3.58,;7.3,-4.4,;8.66,-3.69,;9.96,-4.5,;8.71,-2.15,;4.63,-4.3,;4.57,-5.84,;5.88,-6.66,;3.22,-6.57,;1.92,-5.75,;1.97,-4.21,;3.32,-3.5,;3.37,-1.96,;2.07,-1.16,;.71,-1.88,;.67,-3.4,;3.17,-8.11,;1.82,-8.83,;.51,-8.03,;1.77,-10.37,;3.08,-11.18,;4.43,-10.45,;5.74,-11.25,;5.7,-12.79,;7.47,-10.42,;9.06,-11.51,;10.79,-10.67,;12.38,-11.76,;14.11,-10.93,;15.7,-12.01,;17.44,-11.18,;19.02,-12.26,;.42,-11.1,;-1.12,-11.09,;-1.89,-9.75,;-1.91,-12.43,;-1.14,-13.77,;.41,-13.77,;-3.45,-12.42,;-4.23,-13.75,;-3.46,-15.09,;-5.77,-13.75,;-6.55,-15.08,;31.91,1.97,;32,3.53,;33.18,1.14,;39.6,-37.01,;39.22,-38.49,;41.09,-36.6,;42.18,-37.68,;41.8,-39.17,;40.31,-39.58,;39.93,-41.08,;38.44,-41.48,;41.03,-42.15,;43.67,-37.27,;44.05,-35.79,;44.77,-38.36,;44.64,-40.03,;46.19,-40.66,;47.28,-39.39,;46.25,-38.22,;46.83,-36.79,;45.88,-35.59,;48.36,-36.58,;48.93,-35.15,;50.46,-34.95,;51.41,-36.14,;52.93,-35.93,;53.88,-37.13,;55.41,-36.92,;55.98,-35.49,;56.36,-38.13,;47.98,-33.94,;46.46,-34.13,;48.56,-32.52,)|
Show InChI InChI=1S/C149H248BrN47O42/c1-80(2)69-99(131(222)184-97(48-54-114(159)204)143(234)194-65-27-42-109(194)140(231)185-98(146(237)238)39-26-64-169-149(164)165)186-124(215)86(33-15-20-58-151)173-120(211)83(7)171-138(229)107-40-29-67-196(107)145(236)110-43-30-68-197(110)142(233)96(36-18-23-61-154)183-123(214)88(35-17-22-60-153)177-136(227)104(76-199)190-129(220)94(49-55-116(206)207)179-121(212)87(34-16-21-59-152)174-122(213)89(37-24-62-167-147(160)161)175-125(216)91(45-51-111(156)201)178-127(218)93(47-53-113(158)203)182-141(232)119(82(5)6)193-130(221)90(38-25-63-168-148(162)163)176-126(217)92(46-52-112(157)202)180-134(225)102(72-85-74-166-79-170-85)189-128(219)95(50-56-117(208)209)181-139(230)108-41-28-66-195(108)144(235)105(77-200)191-132(223)100(70-81(3)4)187-133(224)101(71-84-31-12-11-13-32-84)188-137(228)106(192-135(226)103(75-198)172-115(205)73-155)78-239-118(210)44-14-9-8-10-19-57-150/h11-13,31-32,74,79-83,86-110,119,198-200H,8-10,14-30,33-73,75-78,151-155H2,1-7H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,204)(H,166,170)(H,171,229)(H,172,205)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,227)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,228)(H,189,219)(H,190,220)(H,191,223)(H,192,226)(H,193,221)(H,206,207)(H,208,209)(H,237,238)(H4,160,161,167)(H4,162,163,168)(H4,164,165,169)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50267261
PNG
((4S)-4-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-{[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:171.183,157.163,150.152,111.120,107.109,78.87,60.67,45.52,36.43,17.17,89.96,131.140,4.4,wD:163.171,141.149,122.129,69.76,54.58,29.29,22.21,8.13,215.222,227.236,231.239,182.205,201.211,98.105,TLB:187:188:191:195.193.194,THB:196:194:191:197.188.189,196:188:191:195.193.194,193:192:189:195.194.196,193:194:191.192.197:189,(41.29,-28.01,;41,-29.53,;42.17,-30.52,;39.55,-30.03,;39.25,-31.53,;37.79,-32.01,;36.61,-31.03,;36.89,-29.51,;35.15,-31.53,;34.87,-33.05,;36.03,-34.04,;35.74,-35.56,;36.91,-36.56,;36.61,-38.08,;33.99,-30.53,;32.54,-31.03,;32.25,-32.53,;31.37,-30.02,;31.67,-28.52,;29.92,-30.52,;28.76,-29.52,;29.04,-28.01,;27.3,-30.03,;27.1,-31.56,;25.41,-31.58,;24.88,-29.99,;26.22,-28.99,;26.32,-27.46,;27.69,-26.76,;25.08,-26.53,;23.69,-27.23,;22.73,-25.85,;23.74,-24.51,;25.32,-25.04,;26.63,-24.27,;27.99,-25.02,;26.62,-22.74,;27.95,-21.96,;29.29,-22.7,;29.3,-24.23,;30.65,-24.99,;30.67,-26.52,;25.26,-21.99,;25.25,-20.42,;23.93,-19.68,;26.57,-19.65,;27.92,-20.42,;29.26,-19.63,;30.58,-20.37,;31.92,-19.59,;33.25,-20.34,;26.55,-18.11,;27.87,-17.32,;29.21,-18.09,;27.85,-15.77,;26.52,-15.03,;25.21,-15.78,;29.16,-15,;29.16,-13.45,;27.82,-12.7,;30.47,-12.67,;31.82,-13.44,;33.15,-12.64,;34.48,-13.4,;34.52,-14.89,;35.82,-12.61,;30.45,-11.12,;31.76,-10.34,;33.11,-11.1,;31.74,-8.79,;30.42,-8.04,;30.41,-6.51,;29.06,-5.76,;29.04,-4.23,;27.7,-3.46,;33.06,-8.02,;33.04,-6.47,;31.72,-5.71,;34.37,-5.69,;35.71,-6.45,;37.04,-5.66,;38.37,-6.42,;39.72,-5.63,;41.03,-6.37,;41.05,-7.9,;42.38,-5.59,;34.35,-4.17,;33,-3.4,;31.69,-4.17,;32.98,-1.87,;34.31,-1.09,;35.64,-1.84,;36.98,-1.04,;36.97,.5,;38.3,-1.8,;31.66,-1.08,;31.6,.46,;32.94,1.26,;30.26,1.23,;28.94,.45,;27.61,1.21,;26.27,.41,;26.29,-1.14,;24.94,1.16,;30.24,2.77,;28.9,3.53,;27.57,2.76,;28.88,5.05,;27.55,5.81,;26.21,5.02,;26.22,3.5,;24.89,5.77,;24.87,7.32,;23.52,8.07,;23.5,9.59,;22.16,10.38,;22.14,11.89,;23.45,12.67,;20.79,12.68,;23.55,4.98,;22.21,5.73,;22.21,7.29,;20.89,4.95,;20.9,3.42,;19.58,2.65,;19.6,1.08,;20.95,.33,;18.28,.31,;19.55,5.69,;18.23,4.9,;18.23,3.38,;16.89,5.66,;16.88,7.18,;18.19,7.98,;18.32,9.5,;19.82,9.84,;20.6,8.56,;19.61,7.39,;15.57,4.87,;14.22,5.61,;14.21,7.17,;12.88,4.84,;12.89,3.3,;14.25,2.54,;14.27,1.02,;12.95,.26,;15.62,.25,;11.55,5.59,;10.21,4.81,;10.23,3.27,;8.89,5.56,;8.93,7.08,;7.29,7.4,;6.5,5.94,;7.64,4.71,;7.47,3.2,;8.74,2.35,;6.08,2.5,;4.81,3.35,;4.91,4.87,;5.99,.96,;4.62,.28,;3.34,1.13,;4.53,-1.26,;5.82,-2.11,;7.19,-1.43,;8.47,-2.26,;7.27,.11,;3.15,-1.94,;3.05,-3.48,;4.34,-4.33,;1.68,-4.17,;.4,-3.32,;.49,-1.79,;1.85,-1.11,;1.94,.43,;.66,1.26,;-.71,.57,;-.79,-.95,;1.6,-5.71,;.23,-6.4,;-1.06,-5.57,;.14,-7.94,;1.43,-8.78,;2.8,-8.08,;4.09,-8.91,;4.01,-10.45,;5.84,-8.12,;7.4,-9.26,;6.88,-10.96,;8.38,-12.05,;8.78,-14.2,;9.47,-12.38,;11.07,-11.38,;10.54,-9.42,;9.85,-11.08,;9.01,-8.28,;7.87,-11.21,;-1.23,-8.64,;-2.76,-8.59,;-3.5,-7.23,;-3.58,-9.91,;-2.84,-11.26,;-1.29,-11.31,;-5.12,-9.87,;-5.93,-11.18,;-5.19,-12.53,;-7.47,-11.13,;-8.28,-12.44,;30.21,5.84,;30.2,7.4,;31.54,5.1,;40.42,-32.54,;40.13,-34.05,;41.87,-32.04,;43.04,-33.04,;42.75,-34.56,;41.29,-35.06,;41.01,-36.58,;39.55,-37.08,;42.17,-37.58,;44.5,-32.54,;44.78,-31.04,;45.66,-33.55,;45.64,-35.22,;47.23,-35.76,;48.23,-34.42,;47.13,-33.32,;47.62,-31.85,;46.59,-30.72,;49.12,-31.55,;49.61,-30.08,;51.11,-29.78,;52.14,-30.91,;53.65,-30.61,;54.67,-31.74,;56.18,-31.43,;56.66,-29.96,;57.2,-32.58,;48.58,-28.93,;47.07,-29.23,;49.06,-27.48,)|
Show InChI InChI=1S/C153H251N47O42/c1-80(2)62-102(134(225)187-100(42-48-117(162)207)146(237)197-58-22-37-112(197)143(234)188-101(149(240)241)34-21-57-172-152(167)168)189-127(218)89(28-11-15-51-154)176-123(214)83(7)174-141(232)110-35-24-60-199(110)148(239)113-38-25-61-200(113)145(236)99(31-14-18-54-157)186-126(217)91(30-13-17-53-156)180-139(230)107(76-202)193-132(223)97(43-49-119(209)210)182-124(215)90(29-12-16-52-155)177-125(216)92(32-19-55-170-150(163)164)178-128(219)94(39-45-114(159)204)181-130(221)96(41-47-116(161)206)185-144(235)122(82(5)6)196-133(224)93(33-20-56-171-151(165)166)179-129(220)95(40-46-115(160)205)183-137(228)105(68-88-74-169-79-173-88)192-131(222)98(44-50-120(211)212)184-142(233)111-36-23-59-198(111)147(238)108(77-203)194-135(226)103(63-81(3)4)190-136(227)104(67-84-26-9-8-10-27-84)191-140(231)109(195-138(229)106(75-201)175-118(208)73-158)78-242-121(213)72-153-69-85-64-86(70-153)66-87(65-85)71-153/h8-10,26-27,74,79-83,85-87,89-113,122,201-203H,11-25,28-73,75-78,154-158H2,1-7H3,(H2,159,204)(H2,160,205)(H2,161,206)(H2,162,207)(H,169,173)(H,174,232)(H,175,208)(H,176,214)(H,177,216)(H,178,219)(H,179,220)(H,180,230)(H,181,221)(H,182,215)(H,183,228)(H,184,233)(H,185,235)(H,186,217)(H,187,225)(H,188,234)(H,189,218)(H,190,227)(H,191,231)(H,192,222)(H,193,223)(H,194,226)(H,195,229)(H,196,224)(H,209,210)(H,211,212)(H,240,241)(H4,163,164,170)(H4,165,166,171)(H4,167,168,172)/t83-,85?,86?,87?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,153?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422313
PNG
(CHEMBL2310891)
Show SMILES CCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:181.185,226.232,188.193,57.59,70.71,40.40,107.109,160.162,145.147,125.127,214.218,18.20,197.201,230.235,wD:100.102,48.48,14.14,154.156,29.28,61.62,169.171,80.82,116.118,136.138,89.91,206.210,192.197,(60.62,-14.96,;59.09,-15.07,;58.22,-13.8,;56.69,-13.91,;55.82,-12.63,;54.29,-12.74,;53.42,-11.47,;51.89,-11.58,;51.02,-10.3,;49.49,-10.41,;48.63,-9.13,;49.3,-7.75,;47.09,-9.25,;46.23,-7.97,;44.69,-8.08,;44.02,-9.47,;44.88,-10.74,;46.42,-10.63,;44.21,-12.13,;42.67,-12.24,;41.81,-10.96,;45.07,-13.4,;44.4,-14.79,;42.86,-14.9,;45.26,-16.06,;44.59,-17.45,;43.83,-6.8,;44.5,-5.42,;42.29,-6.92,;41.43,-5.64,;42.1,-4.25,;41.24,-2.98,;41.91,-1.59,;41.05,-.32,;39.51,-.43,;38.84,-1.81,;39.7,-3.09,;39.89,-5.75,;39.22,-7.14,;39.03,-4.47,;37.49,-4.59,;36.82,-5.97,;35.28,-6.08,;34.61,-7.47,;34.42,-4.81,;36.63,-3.31,;37.3,-1.92,;35.09,-3.42,;34.23,-2.14,;34.9,-.76,;34.04,.52,;32.69,-2.26,;31.83,-.98,;32.02,-3.64,;32.75,-5,;31.68,-6.11,;30.29,-5.44,;30.5,-3.91,;29.39,-2.84,;29.76,-1.35,;27.91,-3.27,;26.8,-2.2,;27.17,-.71,;26.06,.36,;26.43,1.86,;27.91,2.28,;25.33,2.92,;25.33,-2.63,;24.96,-4.12,;24.22,-1.56,;22.74,-1.99,;22.37,-3.48,;20.89,-3.91,;20.36,-5.36,;18.82,-5.31,;18.4,-3.83,;19.67,-2.96,;21.63,-.92,;22,.57,;20.15,-1.35,;19.04,-.28,;19.41,1.21,;20.89,1.64,;21.26,3.14,;20.15,4.2,;22.74,3.56,;17.56,-.71,;17.19,-2.2,;16.45,.36,;14.97,-.07,;13.86,1,;14.23,2.5,;13.12,3.56,;13.49,5.06,;12.38,6.13,;12.75,7.62,;10.9,5.7,;14.6,-1.56,;15.71,-2.63,;13.12,-1.99,;12.01,-.92,;12.38,.57,;11.27,1.64,;13.32,1.79,;10.53,-1.35,;10.16,-2.84,;9.42,-.28,;7.94,-.71,;7.57,-2.2,;6.09,-2.63,;5.72,-4.12,;6.83,-5.19,;4.24,-4.55,;6.83,.36,;7.2,1.86,;5.35,-.07,;4.24,1,;4.61,2.5,;6.09,2.92,;6.46,4.42,;5.35,5.49,;7.94,4.85,;2.76,.57,;1.65,1.64,;2.39,-.92,;.91,-1.35,;.54,-2.84,;-.94,-3.27,;-1.31,-4.76,;-.2,-5.83,;-.57,-7.33,;.54,-8.4,;-2.05,-7.75,;-.2,-.28,;.17,1.21,;-1.68,-.71,;-2.79,.36,;-2.42,1.86,;-.94,2.28,;-.57,3.78,;.91,4.2,;1.28,5.7,;-4.27,-.07,;-4.64,-1.56,;-5.38,1,;-6.86,.57,;-7.23,-.92,;-8.71,-1.35,;-9.08,-2.84,;-7.97,-3.91,;-10.55,-3.27,;-7.97,1.64,;-7.6,3.14,;-9.45,1.21,;-10.55,2.28,;-10.18,3.78,;-11.29,4.85,;-12.03,1.86,;-12.4,.36,;-13.14,2.92,;-14.62,2.5,;-14.99,1,;-16.58,.02,;-13.43,.07,;-13.99,-.93,;-13.69,-2.24,;-15.73,3.56,;-15.36,5.06,;-16.94,2.48,;-18.63,1.86,;-19.61,1.49,;-20.17,2.28,;-21.65,1.86,;-22.76,2.92,;-24.24,2.5,;-18.26,.26,;-19.79,.15,;-17.39,-1.02,;-15.85,-1.07,;-15.43,-2.55,;-16.7,-3.41,;-18.06,-2.63,;-19.4,-2.89,;-20.41,-1.73,;-19.89,-4.35,;-19.01,-5.61,;-19.93,-6.84,;-21.39,-6.34,;-21.37,-4.8,;-22.6,-3.88,;-24.01,-4.48,;-22.41,-2.35,;-23.64,-1.43,;-23.46,.1,;-25.06,-2.03,;-25.25,-3.56,;-26.29,-1.11,;-27.71,-1.71,;-27.89,-3.24,;-26.66,-4.16,;-26.85,-5.69,;-25.62,-6.62,;-25.8,-8.15,;-28.94,-.79,;-28.76,.74,;-30.36,-1.39,;-31.59,-.47,;-31.4,1.06,;-32.64,1.99,;-34.05,1.38,;-32.45,3.52,;-33.01,-1.07,;-33.19,-2.6,;-34.24,-.15,;-35.65,-.75,;-35.84,-2.28,;-37.25,-2.88,;-37.44,-4.41,;-38.86,-5.02,;-36.21,-5.34,;-36.89,.17,;-36.7,1.7,;-38.3,-.43,;-38.65,-1.93,;-40.18,-2.07,;-40.78,-.65,;-39.62,.36,;-39.76,1.89,;-38.5,2.78,;-41.16,2.54,;-41.29,4.08,;-42.69,4.72,;-42.83,6.26,;-44.23,6.91,;-44.36,8.44,;-43.1,9.33,;-43.24,10.86,;-41.71,8.68,;-40.03,4.96,;-38.64,4.31,;-40.17,6.5,)|
Show InChI InChI=1S/C152H255N47O42/c1-9-10-11-12-13-14-15-19-48-121(212)241-81-109(194-138(228)106(78-200)174-118(207)76-157)140(230)190-104(74-87-35-17-16-18-36-87)136(226)189-103(73-84(4)5)135(225)193-108(80-202)147(237)197-69-32-45-111(197)142(232)183-98(54-60-120(210)211)131(221)191-105(75-88-77-168-82-172-88)137(227)182-95(50-56-115(159)204)129(219)178-93(42-29-66-170-151(164)165)133(223)195-122(85(6)7)144(234)184-96(51-57-116(160)205)130(220)180-94(49-55-114(158)203)128(218)177-92(41-28-65-169-150(162)163)125(215)176-90(38-21-25-62-154)124(214)181-97(53-59-119(208)209)132(222)192-107(79-201)139(229)179-91(39-22-26-63-155)126(216)185-99(40-23-27-64-156)145(235)199-71-34-47-113(199)148(238)198-70-33-44-110(198)141(231)173-86(8)123(213)175-89(37-20-24-61-153)127(217)188-102(72-83(2)3)134(224)186-100(52-58-117(161)206)146(236)196-68-31-46-112(196)143(233)187-101(149(239)240)43-30-67-171-152(166)167/h16-18,35-36,77,82-86,89-113,122,200-202H,9-15,19-34,37-76,78-81,153-157H2,1-8H3,(H2,158,203)(H2,159,204)(H2,160,205)(H2,161,206)(H,168,172)(H,173,231)(H,174,207)(H,175,213)(H,176,215)(H,177,218)(H,178,219)(H,179,229)(H,180,220)(H,181,214)(H,182,227)(H,183,232)(H,184,234)(H,185,216)(H,186,224)(H,187,233)(H,188,217)(H,189,226)(H,190,230)(H,191,221)(H,192,222)(H,193,225)(H,194,228)(H,195,223)(H,208,209)(H,210,211)(H,239,240)(H4,162,163,169)(H4,164,165,170)(H4,166,167,171)/t86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422316
PNG
(CHEMBL2310888)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O |r,wU:178.182,185.190,97.99,45.45,11.11,151.153,26.25,58.59,166.168,77.79,113.115,133.135,15.17,wD:54.56,67.68,37.37,104.106,157.159,142.144,86.88,122.124,189.194,(52.08,.51,;50.93,-.52,;49.47,-.04,;48.32,-1.07,;46.86,-.6,;45.72,-1.63,;44.25,-1.15,;43.11,-2.18,;43.43,-3.69,;41.64,-1.71,;40.5,-2.74,;39.03,-2.26,;38.71,-.75,;37.25,-.28,;36.1,-1.31,;36.93,1.23,;38.07,2.26,;39.54,1.78,;35.46,1.7,;35.14,3.21,;36.29,4.24,;33.68,3.69,;33.36,5.19,;37.89,-3.29,;38.21,-4.8,;36.42,-2.82,;35.28,-3.85,;35.6,-5.35,;34.45,-6.38,;32.99,-5.91,;31.85,-6.94,;32.17,-8.44,;33.63,-8.92,;34.77,-7.89,;33.81,-3.37,;33.49,-1.86,;32.67,-4.4,;31.21,-3.92,;30.89,-2.42,;29.42,-1.94,;28.28,-2.97,;29.1,-.44,;30.06,-4.95,;30.38,-6.46,;28.6,-4.48,;27.45,-5.51,;27.77,-7.02,;26.63,-8.05,;25.99,-5.03,;24.84,-6.06,;25.67,-3.53,;26.7,-2.38,;25.93,-1.05,;24.42,-1.37,;24.26,-2.9,;22.93,-3.67,;22.93,-5.21,;21.59,-2.9,;20.26,-3.67,;20.26,-5.21,;18.93,-5.98,;18.93,-7.52,;17.59,-8.29,;20.26,-8.29,;18.93,-2.9,;18.93,-1.36,;17.59,-3.67,;16.26,-2.9,;16.26,-1.36,;14.92,-.59,;13.52,-1.22,;12.49,-.07,;13.26,1.26,;14.76,.94,;14.92,-3.67,;14.92,-5.21,;13.59,-2.9,;12.26,-3.67,;12.26,-5.21,;13.59,-5.98,;13.59,-7.52,;12.26,-8.29,;14.92,-8.29,;10.92,-2.9,;10.92,-1.36,;9.59,-3.67,;8.26,-2.9,;8.26,-1.36,;6.92,-.59,;6.92,.95,;8.26,1.72,;8.26,3.26,;9.59,4.03,;6.92,4.03,;6.92,-3.67,;6.92,-5.21,;5.59,-2.9,;4.25,-3.67,;4.25,-5.21,;2.92,-5.98,;5.59,-5.98,;2.92,-2.9,;2.92,-1.36,;1.59,-3.67,;.25,-2.9,;.25,-1.36,;-1.08,-.59,;-1.08,.95,;.25,1.72,;-2.41,1.72,;-1.08,-3.67,;-1.08,-5.21,;-2.41,-2.9,;-3.75,-3.67,;-3.75,-5.21,;-2.41,-5.98,;-2.41,-7.52,;-3.75,-8.29,;-1.08,-8.29,;-5.08,-2.9,;-5.08,-1.36,;-6.41,-3.67,;-7.75,-2.9,;-7.75,-1.36,;-9.08,-.59,;-9.08,.95,;-10.42,1.72,;-10.42,3.26,;-11.75,4.03,;-9.08,4.03,;-9.08,-3.67,;-9.08,-5.21,;-10.42,-2.9,;-11.75,-3.67,;-11.75,-5.21,;-10.42,-5.98,;-10.42,-7.52,;-9.08,-8.29,;-9.08,-9.83,;-13.08,-2.9,;-13.08,-1.36,;-14.42,-3.67,;-15.75,-2.9,;-15.75,-1.36,;-17.08,-.59,;-17.08,.95,;-15.75,1.72,;-18.42,1.72,;-17.08,-3.67,;-17.08,-5.21,;-18.42,-2.9,;-19.75,-3.67,;-19.75,-5.21,;-21.09,-5.98,;-21.09,-2.9,;-21.09,-1.36,;-22.42,-3.67,;-23.75,-2.9,;-23.75,-1.36,;-25.09,-.59,;-25.09,.95,;-26.42,1.72,;-26.42,3.26,;-25.09,-3.67,;-25.09,-5.21,;-26.42,-2.9,;-27.75,-3.67,;-27.75,-5.21,;-26.42,-5.98,;-26.42,-7.52,;-25.09,-8.29,;-25.09,-9.83,;-29.09,-2.9,;-29.09,-1.36,;-30.42,-3.67,;-30.58,-5.2,;-32.09,-5.52,;-32.86,-4.19,;-31.83,-3.04,;-32.15,-1.54,;-31,-.51,;-33.61,-1.06,;-34.86,-1.97,;-36.1,-1.06,;-35.63,.4,;-34.09,.4,;-33.18,1.65,;-31.65,1.49,;-33.81,3.06,;-32.9,4.3,;-31.37,4.14,;-33.53,5.71,;-35.06,5.87,;-32.63,6.95,)|
Show InChI InChI=1S/C121H200N38O35/c1-7-8-9-10-14-36-96(171)194-63-86(155-111(185)83(60-160)139-93(166)58-125)113(187)151-81(56-68-26-12-11-13-27-68)109(183)150-80(55-65(2)3)108(182)154-85(62-162)118(192)157-52-23-34-88(157)115(189)147-78(41-46-95(169)170)105(179)152-82(57-69-59-134-64-137-69)110(184)146-75(38-43-91(127)164)103(177)142-73(32-22-51-136-121(132)133)107(181)156-97(66(4)5)116(190)148-76(39-44-92(128)165)104(178)144-74(37-42-90(126)163)102(176)141-72(31-21-50-135-120(130)131)100(174)140-70(28-15-18-47-122)99(173)145-77(40-45-94(167)168)106(180)153-84(61-161)112(186)143-71(29-16-19-48-123)101(175)149-79(30-17-20-49-124)117(191)159-54-25-35-89(159)119(193)158-53-24-33-87(158)114(188)138-67(6)98(129)172/h11-13,26-27,59,64-67,70-89,97,160-162H,7-10,14-25,28-58,60-63,122-125H2,1-6H3,(H2,126,163)(H2,127,164)(H2,128,165)(H2,129,172)(H,134,137)(H,138,188)(H,139,166)(H,140,174)(H,141,176)(H,142,177)(H,143,186)(H,144,178)(H,145,173)(H,146,184)(H,147,189)(H,148,190)(H,149,175)(H,150,183)(H,151,187)(H,152,179)(H,153,180)(H,154,182)(H,155,185)(H,156,181)(H,167,168)(H,169,170)(H4,130,131,135)(H4,132,133,136)/t67-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,97-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50366689
PNG
(GHRELIN)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)|
Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a


Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM21940
PNG
(Ghrelin)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:166.168,203.207,151.153,133.135,67.68,77.79,26.25,113.115,11.11,97.99,178.182,185.190,189.194,wD:194.198,157.159,211.215,227.232,142.144,58.59,45.45,37.37,122.124,86.88,104.106,15.17,223.229,54.56,(58.89,-82.98,;57.56,-82.21,;57.56,-80.67,;56.23,-79.9,;56.23,-78.36,;54.89,-77.59,;54.89,-76.05,;53.56,-75.28,;52.22,-76.05,;53.56,-73.74,;52.22,-72.97,;52.22,-71.43,;53.56,-70.66,;54.89,-71.43,;54.89,-72.97,;56.23,-70.66,;56.23,-69.12,;57.56,-68.35,;57.56,-71.43,;58.89,-70.66,;58.89,-69.12,;60.23,-71.43,;61.56,-70.66,;50.89,-70.66,;50.89,-69.12,;49.56,-71.43,;48.22,-70.66,;46.89,-71.43,;46.89,-72.97,;48.22,-73.74,;48.22,-75.28,;46.89,-76.05,;45.56,-75.28,;45.56,-73.74,;48.22,-69.12,;49.56,-68.35,;46.89,-68.35,;46.89,-66.81,;48.22,-66.04,;48.22,-64.5,;49.56,-63.73,;46.89,-63.73,;45.56,-66.04,;45.56,-64.5,;44.22,-66.81,;42.89,-66.04,;42.89,-64.5,;41.55,-63.73,;41.55,-66.81,;41.55,-68.35,;40.22,-66.04,;40.06,-64.51,;38.55,-64.19,;37.78,-65.52,;38.81,-66.67,;38.49,-68.17,;39.64,-69.2,;37.03,-68.65,;35.88,-67.62,;36.2,-66.11,;35.06,-65.08,;35.38,-63.58,;34.24,-62.54,;36.85,-63.1,;34.42,-68.09,;34.1,-69.6,;33.28,-67.06,;31.81,-67.54,;31.49,-69.05,;30.03,-69.52,;28.78,-68.62,;27.53,-69.52,;28.01,-70.99,;29.55,-70.99,;30.67,-66.51,;29.2,-66.99,;30.99,-65,;29.84,-63.97,;28.38,-64.45,;27.23,-63.42,;25.77,-63.89,;24.62,-62.86,;25.45,-65.4,;30.16,-62.47,;31.63,-61.99,;29.02,-61.44,;29.34,-59.93,;30.8,-59.45,;31.12,-57.95,;32.59,-57.47,;32.91,-55.96,;34.37,-55.49,;34.69,-53.98,;35.52,-56.52,;28.19,-58.9,;26.73,-59.37,;28.51,-57.39,;27.37,-56.36,;25.9,-56.84,;24.76,-55.81,;25.58,-58.34,;27.69,-54.86,;29.15,-54.38,;26.54,-53.83,;26.87,-52.32,;28.33,-51.84,;28.65,-50.34,;30.11,-49.86,;30.43,-48.35,;31.26,-50.89,;25.72,-51.29,;24.26,-51.76,;26.04,-49.78,;24.9,-48.75,;23.43,-49.23,;22.29,-48.2,;20.82,-48.67,;19.68,-47.64,;20.5,-50.18,;25.22,-47.25,;26.68,-46.77,;24.07,-46.21,;24.39,-44.71,;25.86,-44.23,;26.18,-42.73,;27.64,-42.25,;27.96,-40.74,;29.43,-40.27,;29.75,-38.76,;30.57,-41.3,;23.25,-43.68,;21.78,-44.15,;23.57,-42.17,;22.42,-41.14,;20.96,-41.62,;19.81,-40.59,;18.35,-41.06,;17.21,-40.03,;15.74,-40.51,;22.74,-39.63,;24.21,-39.16,;21.6,-38.6,;21.92,-37.1,;23.38,-36.62,;23.7,-35.12,;25.17,-34.64,;25.49,-33.13,;26.31,-35.67,;20.77,-36.07,;19.31,-36.54,;21.1,-34.56,;19.95,-33.53,;18.49,-34.01,;17.34,-32.98,;20.27,-32.02,;21.74,-31.55,;19.13,-30.99,;19.45,-29.49,;20.91,-29.01,;21.23,-27.5,;22.7,-27.03,;23.02,-25.52,;24.48,-25.05,;18.3,-28.46,;16.84,-28.93,;18.62,-26.95,;17.48,-25.92,;16.01,-26.4,;14.87,-25.37,;13.4,-25.84,;12.26,-24.81,;10.79,-25.29,;17.8,-24.41,;19.26,-23.94,;16.65,-23.38,;15.15,-23.7,;14.38,-22.37,;15.41,-21.22,;16.81,-21.85,;18.15,-21.08,;19.48,-21.85,;18.15,-19.54,;16.9,-18.64,;17.38,-17.17,;18.92,-17.17,;19.39,-18.64,;20.86,-19.11,;21.18,-20.62,;22,-18.08,;21.68,-16.57,;20.22,-16.1,;22.83,-15.54,;24.29,-16.02,;22.51,-14.04,;23.65,-13.01,;25.12,-13.48,;26.26,-12.45,;27.73,-12.93,;28.87,-11.9,;30.33,-12.37,;23.33,-11.5,;21.87,-11.03,;24.48,-10.47,;24.16,-8.96,;22.69,-8.49,;21.66,-7.34,;20.15,-7.66,;22.14,-5.88,;25.3,-7.93,;26.76,-8.41,;24.98,-6.43,;26.12,-5.4,;27.59,-5.87,;28.73,-4.84,;30.2,-5.32,;30.52,-6.82,;31.34,-4.29,;25.8,-3.89,;24.34,-3.41,;26.95,-2.86,;28.46,-3.18,;29.23,-1.85,;28.19,-.7,;26.79,-1.33,;25.45,-.56,;24.12,-1.33,;25.45,.98,;26.79,1.75,;28.12,.98,;29.46,1.75,;30.79,.98,;32.12,1.75,;33.46,.98,;34.79,1.75,;33.46,-.56,;26.79,3.29,;28.12,4.06,;25.45,4.06,)|
Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50267264
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-...)
Show SMILES CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:26.25,45.45,54.56,86.88,97.99,122.124,142.144,157.159,166.168,189.194,113.115,67.68,203.207,wD:37.37,58.59,77.79,133.135,151.153,178.182,185.190,194.198,211.215,223.229,227.232,11.11,15.17,104.106,(9.83,-8.53,;9.87,-6.99,;8.56,-6.19,;7.2,-6.92,;5.89,-6.11,;4.54,-6.84,;3.23,-6.03,;1.87,-6.76,;1.83,-8.3,;.56,-5.95,;-.79,-6.68,;-2.1,-5.87,;-3.46,-6.61,;-4.99,-6.6,;-5.76,-5.25,;-5.78,-7.93,;-5.01,-9.27,;-3.46,-9.28,;-7.32,-7.93,;-8.1,-9.26,;-7.33,-10.6,;-9.64,-9.26,;-10.42,-10.59,;-2.05,-4.33,;-3.36,-3.53,;-.7,-3.61,;-.65,-2.07,;-1.95,-1.25,;-1.9,.29,;-.55,1,;-.5,2.54,;-1.8,3.34,;-3.16,2.62,;-3.2,1.1,;.7,-1.34,;2.01,-2.16,;.76,.2,;2.13,.92,;3.44,.09,;4.79,.81,;6.09,0,;4.84,2.35,;2.19,2.46,;.88,3.28,;3.54,3.17,;3.73,4.7,;2.51,5.63,;2.71,7.16,;5.16,5.31,;6.37,4.38,;5.42,6.81,;4.37,8.12,;5.25,9.52,;6.87,9.09,;6.73,7.58,;8,6.74,;7.92,5.2,;9.39,7.43,;10.67,6.6,;10.58,5.07,;11.89,4.21,;11.81,2.69,;10.44,2.02,;13.11,1.84,;12.06,7.29,;12.15,8.84,;13.36,6.46,;14.73,7.15,;14.82,8.68,;16.18,9.39,;16.41,10.9,;17.92,11.15,;18.63,9.81,;17.56,8.71,;16.02,6.31,;15.92,4.79,;17.39,7.01,;18.68,6.18,;18.59,4.65,;17.23,3.97,;17.14,2.41,;18.44,1.57,;15.78,1.72,;20.05,6.88,;20.15,8.44,;21.34,6.05,;22.73,6.75,;22.81,8.3,;21.52,9.14,;21.59,10.67,;20.3,11.53,;20.38,13.04,;21.74,13.73,;19.09,13.92,;24,5.91,;23.92,4.39,;25.39,6.61,;26.67,5.77,;28.05,6.48,;28.15,8.03,;29.33,5.65,;26.59,4.25,;25.21,3.57,;27.88,3.41,;27.8,1.87,;26.43,1.17,;25.15,2.01,;23.76,1.31,;23.68,-.24,;22.48,2.14,;29.09,1.01,;30.48,1.72,;29.05,-.53,;30.31,-1.41,;31.69,-.72,;32.97,-1.55,;34.37,-.84,;34.45,.71,;35.63,-1.69,;30.23,-2.94,;28.87,-3.62,;31.53,-3.79,;31.45,-5.31,;32.75,-6.16,;34.12,-5.46,;35.4,-6.3,;36.8,-5.6,;38.07,-6.42,;37.98,-7.95,;39.46,-5.73,;30.08,-6.01,;28.81,-5.16,;29.99,-7.55,;28.63,-8.24,;27.35,-7.41,;27.44,-5.88,;26.15,-5.04,;26.23,-3.51,;24.93,-2.66,;28.55,-9.79,;29.84,-10.64,;27.19,-10.49,;27.1,-12.03,;28.4,-12.89,;29.78,-12.18,;31.06,-13.03,;31,-14.51,;32.45,-12.32,;25.74,-12.73,;24.46,-11.89,;25.64,-14.28,;24.28,-14.96,;23.01,-14.13,;21.65,-14.8,;24.2,-16.51,;25.5,-17.36,;22.84,-17.21,;22.76,-18.76,;24.05,-19.61,;25.45,-18.91,;26.71,-19.73,;28.11,-19.04,;29.39,-19.87,;21.39,-19.44,;20.11,-18.61,;21.3,-21,;22.6,-21.84,;23.99,-21.15,;25.27,-21.98,;25.19,-23.51,;26.49,-24.35,;26.41,-25.88,;22.51,-23.37,;23.83,-24.21,;21.15,-24.06,;19.62,-23.43,;18.52,-24.69,;19.39,-26.14,;20.82,-25.53,;22,-26.54,;23.42,-25.93,;21.8,-28.06,;20.4,-28.97,;20.82,-30.6,;22.51,-30.69,;22.81,-29.17,;24.3,-28.76,;24.68,-27.26,;25.4,-29.83,;26.88,-29.42,;27.27,-27.94,;27.98,-30.51,;27.59,-31.99,;29.46,-30.1,;30.56,-31.18,;30.18,-32.67,;31.27,-33.75,;30.88,-35.24,;31.99,-36.32,;31.59,-37.81,;32.05,-30.77,;32.43,-29.27,;33.16,-31.83,;34.65,-31.44,;35.05,-29.96,;36.52,-29.55,;36.92,-28.06,;37.63,-30.63,;35.75,-32.53,;35.37,-34.01,;37.24,-32.12,;38.33,-33.2,;37.95,-34.7,;36.46,-35.1,;36.08,-36.6,;34.59,-37.01,;37.17,-37.67,;39.82,-32.79,;40.2,-31.31,;40.92,-33.88,;40.8,-35.55,;42.34,-36.19,;43.43,-34.92,;42.41,-33.74,;42.98,-32.31,;42.03,-31.11,;44.51,-32.1,;45.09,-30.67,;46.61,-30.46,;47.56,-31.66,;49.09,-31.45,;50.04,-32.65,;51.57,-32.44,;52.14,-31.01,;52.52,-33.66,;44.14,-29.46,;42.61,-29.65,;44.71,-28.04,)|
Show InChI InChI=1S/C149H250N48O41/c1-9-10-11-12-16-45-115(205)169-75-103(190-136(227)104(76-198)172-116(206)73-154)135(226)188-101(71-84-32-14-13-15-33-84)133(224)187-100(70-81(4)5)132(223)192-106(78-200)144(235)195-66-29-42-108(195)139(230)181-95(51-57-118(209)210)128(219)189-102(72-85-74-165-79-170-85)134(225)180-92(47-53-112(156)202)126(217)176-90(39-26-63-167-148(161)162)130(221)193-119(82(6)7)141(232)182-93(48-54-113(157)203)127(218)178-91(46-52-111(155)201)125(216)175-89(38-25-62-166-147(159)160)122(213)174-87(35-18-22-59-151)121(212)179-94(50-56-117(207)208)129(220)191-105(77-199)137(228)177-88(36-19-23-60-152)123(214)183-96(37-20-24-61-153)142(233)197-68-31-44-110(197)145(236)196-67-30-41-107(196)138(229)171-83(8)120(211)173-86(34-17-21-58-150)124(215)186-99(69-80(2)3)131(222)184-97(49-55-114(158)204)143(234)194-65-28-43-109(194)140(231)185-98(146(237)238)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,198-200H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,201)(H2,156,202)(H2,157,203)(H2,158,204)(H,165,170)(H,169,205)(H,171,229)(H,172,206)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,228)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,226)(H,189,219)(H,190,227)(H,191,220)(H,192,223)(H,193,221)(H,207,208)(H,209,210)(H,237,238)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 0.420n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...


Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094056
PNG
(CHEMBL412799 | GSS(heptyl carbonyl)FLSPEHQRVQQRKES...)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C96H157N31O30/c1-6-7-8-9-13-25-76(139)157-48-68(125-90(152)66(46-129)111-73(134)43-98)91(153)121-63(41-52-19-11-10-12-20-52)88(150)120-62(40-50(2)3)87(149)124-67(47-130)94(156)127-39-18-24-69(127)92(154)118-61(30-35-75(137)138)84(146)122-64(42-53-44-107-49-110-53)89(151)117-58(27-32-71(100)132)82(144)114-56(23-17-38-109-96(105)106)86(148)126-77(51(4)5)93(155)119-59(28-33-72(101)133)83(145)115-57(26-31-70(99)131)81(143)113-55(22-16-37-108-95(103)104)80(142)112-54(21-14-15-36-97)79(141)116-60(29-34-74(135)136)85(147)123-65(45-128)78(102)140/h10-12,19-20,44,49-51,54-69,77,128-130H,6-9,13-18,21-43,45-48,97-98H2,1-5H3,(H2,99,131)(H2,100,132)(H2,101,133)(H2,102,140)(H,107,110)(H,111,134)(H,112,142)(H,113,143)(H,114,144)(H,115,145)(H,116,141)(H,117,151)(H,118,154)(H,119,155)(H,120,150)(H,121,153)(H,122,146)(H,123,147)(H,124,149)(H,125,152)(H,126,148)(H,135,136)(H,137,138)(H4,103,104,108)(H4,105,106,109)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,77-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50267950
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:53.53,62.64,94.96,105.107,130.132,150.152,165.167,174.176,197.202,34.33,121.123,75.76,211.215,wD:45.45,66.67,85.87,141.143,159.161,186.190,193.198,202.206,219.223,231.237,235.240,19.19,23.25,112.114,(8.99,-19.3,;9.02,-17.76,;10.36,-17.01,;10.38,-15.47,;11.73,-14.72,;11.75,-13.18,;10.43,-12.39,;9.09,-13.14,;7.76,-12.35,;6.42,-13.1,;5.1,-12.31,;3.75,-13.06,;2.43,-12.27,;1.08,-13.02,;-.24,-12.23,;-1.58,-12.98,;-1.61,-14.52,;-2.9,-12.19,;-4.25,-12.94,;-5.57,-12.15,;-6.91,-12.9,;-8.45,-12.92,;-9.24,-11.58,;-9.22,-14.26,;-8.43,-15.59,;-6.88,-15.58,;-10.76,-14.28,;-11.52,-15.62,;-10.73,-16.95,;-13.06,-15.64,;-13.82,-16.98,;-5.54,-10.61,;-6.86,-9.82,;-4.2,-9.87,;-4.17,-8.33,;-5.49,-7.52,;-5.46,-5.98,;-4.12,-5.25,;-4.09,-3.72,;-5.4,-2.93,;-6.75,-3.67,;-6.77,-5.2,;-2.83,-7.58,;-1.51,-8.38,;-2.79,-6.04,;-1.43,-5.3,;-.12,-6.1,;1.23,-5.37,;2.54,-6.16,;1.26,-3.83,;-1.4,-3.76,;-2.72,-2.96,;-.05,-3.03,;-.02,-1.49,;-1.33,-.68,;-1.29,.83,;1.33,-.73,;2.64,-1.53,;1.44,.79,;.26,1.98,;.99,3.48,;2.65,3.23,;2.67,1.68,;4.01,.99,;4.09,-.55,;5.32,1.81,;6.68,1.12,;6.75,-.42,;8.15,-1.13,;8.22,-2.65,;6.92,-3.46,;9.6,-3.37,;8,1.94,;7.93,3.51,;9.36,1.23,;10.65,2.08,;10.57,3.63,;11.85,4.45,;11.93,5.99,;13.41,6.39,;14.25,5.12,;13.29,3.91,;12.01,1.37,;12.07,-.14,;13.31,2.22,;14.67,1.52,;14.74,-.01,;13.45,-.83,;13.53,-2.39,;14.91,-3.09,;12.24,-3.21,;15.97,2.35,;15.9,3.92,;17.33,1.66,;18.64,2.5,;18.56,4.05,;17.19,4.75,;17.11,6.28,;15.73,6.99,;15.66,8.52,;16.94,9.34,;14.28,9.25,;19.99,1.8,;20.06,.28,;21.3,2.64,;22.66,1.93,;23.97,2.78,;23.9,4.32,;25.32,2.08,;22.74,.42,;21.44,-.4,;24.11,-.29,;24.18,-1.83,;22.9,-2.67,;21.54,-1.96,;20.23,-2.8,;20.3,-4.35,;18.86,-2.11,;25.56,-2.55,;26.87,-1.7,;25.67,-4.09,;27.03,-4.81,;28.33,-3.98,;29.69,-4.68,;31,-3.83,;30.93,-2.28,;32.35,-4.54,;27.11,-6.34,;25.83,-7.16,;28.49,-7.06,;28.56,-8.57,;29.94,-9.29,;31.24,-8.45,;32.6,-9.15,;33.91,-8.31,;35.26,-9,;35.34,-10.53,;36.57,-8.17,;27.27,-9.41,;25.92,-8.7,;27.34,-10.96,;26.06,-11.78,;24.7,-11.08,;24.64,-9.55,;23.26,-8.85,;23.18,-7.32,;21.81,-6.61,;26.14,-13.33,;27.51,-14.04,;24.85,-14.16,;24.93,-15.71,;26.31,-16.43,;27.61,-15.58,;28.97,-16.29,;29.06,-17.8,;30.28,-15.44,;23.65,-16.55,;22.29,-15.84,;23.71,-18.09,;22.43,-18.91,;21.07,-18.22,;19.78,-19.05,;22.51,-20.46,;23.88,-21.18,;21.22,-21.3,;21.3,-22.84,;22.68,-23.56,;23.99,-22.72,;25.34,-23.41,;26.65,-22.58,;28.01,-23.27,;20.01,-23.66,;18.66,-22.97,;20.08,-25.23,;21.46,-25.93,;22.77,-25.1,;24.13,-25.79,;24.21,-27.32,;25.58,-28.03,;25.66,-29.56,;21.53,-27.46,;22.92,-28.16,;20.25,-28.28,;18.66,-27.81,;17.7,-29.19,;18.7,-30.53,;20.07,-29.78,;21.34,-30.66,;22.69,-29.91,;21.31,-32.2,;20,-33.25,;20.59,-34.82,;22.28,-34.73,;22.42,-33.19,;23.87,-32.63,;24.09,-31.11,;25.07,-33.59,;26.5,-33.03,;26.73,-31.52,;27.71,-34,;27.47,-35.51,;29.13,-33.44,;30.33,-34.4,;30.11,-35.92,;31.31,-36.88,;31.08,-38.41,;32.28,-39.36,;32.04,-40.89,;31.78,-33.84,;32,-32.31,;32.99,-34.78,;34.43,-34.24,;34.68,-32.73,;36.1,-32.17,;36.34,-30.64,;37.31,-33.12,;35.64,-35.21,;35.41,-36.72,;37.08,-34.65,;38.28,-35.61,;38.05,-37.14,;36.61,-37.69,;36.38,-39.22,;34.94,-39.78,;37.58,-40.18,;39.72,-35.05,;39.94,-33.54,;40.92,-36.02,;40.97,-37.69,;42.57,-38.17,;43.53,-36.79,;42.39,-35.73,;42.81,-34.24,;41.74,-33.15,;44.31,-33.88,;44.74,-32.4,;46.23,-32.04,;47.3,-33.13,;48.8,-32.77,;49.87,-33.86,;51.36,-33.5,;51.79,-32.01,;52.43,-34.6,;43.67,-31.29,;42.17,-31.64,;44.09,-29.82,)|
Show InChI InChI=1S/C157H265N47O42/c1-9-10-11-12-13-14-15-16-17-18-19-20-24-53-126(217)246-86-114(199-143(233)111(83-205)179-123(212)81-162)145(235)195-109(79-92-40-22-21-23-41-92)141(231)194-108(78-89(4)5)140(230)198-113(85-207)152(242)202-74-37-50-116(202)147(237)188-103(59-65-125(215)216)136(226)196-110(80-93-82-173-87-177-93)142(232)187-100(55-61-120(164)209)134(224)183-98(47-34-71-175-156(169)170)138(228)200-127(90(6)7)149(239)189-101(56-62-121(165)210)135(225)185-99(54-60-119(163)208)133(223)182-97(46-33-70-174-155(167)168)130(220)181-95(43-26-30-67-159)129(219)186-102(58-64-124(213)214)137(227)197-112(84-206)144(234)184-96(44-27-31-68-160)131(221)190-104(45-28-32-69-161)150(240)204-76-39-52-118(204)153(243)203-75-38-49-115(203)146(236)178-91(8)128(218)180-94(42-25-29-66-158)132(222)193-107(77-88(2)3)139(229)191-105(57-63-122(166)211)151(241)201-73-36-51-117(201)148(238)192-106(154(244)245)48-35-72-176-157(171)172/h21-23,40-41,82,87-91,94-118,127,205-207H,9-20,24-39,42-81,83-86,158-162H2,1-8H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,173,177)(H,178,236)(H,179,212)(H,180,218)(H,181,220)(H,182,223)(H,183,224)(H,184,234)(H,185,225)(H,186,219)(H,187,232)(H,188,237)(H,189,239)(H,190,221)(H,191,229)(H,192,238)(H,193,222)(H,194,231)(H,195,235)(H,196,226)(H,197,227)(H,198,230)(H,199,233)(H,200,228)(H,213,214)(H,215,216)(H,244,245)(H4,167,168,174)(H4,169,170,175)(H4,171,172,176)/t91-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,127-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 0.870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422315
PNG
(CHEMBL2310887)
Show SMILES CCCC(CCC)C(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:178.182,223.229,185.190,97.99,11.11,151.153,58.59,37.37,166.168,113.115,133.135,211.215,194.198,227.232,wD:54.56,45.45,26.25,67.68,104.106,77.79,157.159,142.144,86.88,122.124,203.207,15.17,189.194,(43.59,-22.87,;42.1,-22.47,;41.7,-20.99,;40.21,-20.59,;39.12,-21.68,;39.52,-23.17,;38.43,-24.25,;39.81,-19.1,;38.33,-18.7,;40.9,-18.01,;40.5,-16.52,;41.59,-15.44,;43.08,-15.83,;43.48,-17.32,;42.39,-18.41,;44.97,-17.72,;46.06,-16.63,;45.66,-15.14,;45.37,-19.21,;46.85,-19.61,;47.94,-18.52,;47.25,-21.09,;48.74,-21.49,;41.2,-13.95,;42.28,-12.86,;39.71,-13.55,;39.31,-12.06,;40.4,-10.97,;40,-9.49,;38.51,-9.09,;38.11,-7.6,;39.2,-6.51,;40.69,-6.91,;41.09,-8.4,;37.82,-11.66,;36.73,-12.75,;37.42,-10.18,;35.94,-9.78,;34.85,-10.87,;33.36,-10.47,;32.27,-11.56,;32.96,-8.98,;35.54,-8.29,;36.63,-7.2,;34.05,-7.89,;33.65,-6.4,;34.74,-5.32,;34.34,-3.83,;32.16,-6.01,;31.07,-7.1,;31.76,-4.52,;32.73,-3.32,;31.89,-2.03,;30.41,-2.43,;30.33,-3.97,;29.03,-4.81,;29.12,-6.34,;27.66,-4.11,;26.37,-4.95,;26.45,-6.48,;25.16,-7.32,;25.24,-8.86,;26.61,-9.56,;23.95,-9.7,;25,-4.25,;25.84,-2.95,;23.71,-5.09,;22.34,-4.39,;22.25,-2.85,;23.55,-2.01,;23.63,-.47,;25.11,-.07,;25.95,-1.36,;24.98,-2.56,;21.04,-5.22,;21.12,-6.76,;19.67,-4.53,;19.59,-2.99,;20.88,-2.15,;20.8,-.61,;22.09,.23,;23.61,.47,;22.01,1.77,;18.22,-2.29,;18.14,-.75,;16.93,-3.13,;15.55,-2.43,;15.47,-.89,;14.1,-.19,;14.02,1.35,;12.65,2.05,;12.57,3.58,;11.2,4.28,;13.86,4.42,;14.26,-3.27,;14.34,-4.81,;12.89,-2.57,;11.6,-3.41,;11.68,-4.95,;10.39,-5.78,;13.05,-5.64,;10.23,-2.71,;10.15,-1.17,;8.94,-3.55,;7.56,-2.85,;7.48,-1.31,;6.11,-.61,;6.03,.93,;7.32,1.77,;4.66,1.63,;6.27,-3.69,;6.35,-5.22,;4.9,-2.99,;3.61,-3.83,;3.69,-5.36,;5.06,-6.06,;5.14,-7.6,;6.51,-8.3,;3.85,-8.44,;2.24,-3.13,;2.16,-1.59,;.94,-3.97,;-.43,-3.27,;-.51,-1.73,;-1.88,-1.03,;-1.96,.51,;-3.33,1.21,;-3.41,2.74,;-4.79,3.44,;-2.12,3.58,;-1.72,-4.11,;-1.64,-5.64,;-3.09,-3.41,;-4.38,-4.25,;-4.3,-5.78,;-2.93,-6.48,;-2.85,-8.02,;-1.48,-8.72,;-1.4,-10.26,;-5.75,-3.55,;-5.84,-2.01,;-7.05,-4.39,;-8.42,-3.69,;-8.5,-2.15,;-9.87,-1.45,;-9.95,.09,;-8.66,.93,;-11.32,.79,;-9.71,-4.53,;-9.63,-6.06,;-11.08,-3.83,;-12.37,-4.67,;-12.29,-6.2,;-13.58,-7.04,;-13.75,-3.97,;-13.83,-2.43,;-15.04,-4.81,;-16.41,-4.11,;-16.49,-2.57,;-17.86,-1.87,;-17.94,-.33,;-19.32,.37,;-19.4,1.91,;-17.7,-4.95,;-17.62,-6.48,;-19.07,-4.25,;-20.36,-5.09,;-20.28,-6.62,;-18.91,-7.32,;-18.83,-8.86,;-17.46,-9.56,;-17.38,-11.1,;-21.74,-4.39,;-21.82,-2.85,;-23.03,-5.22,;-23.11,-6.76,;-24.6,-7.16,;-25.44,-5.87,;-24.47,-4.67,;-24.86,-3.19,;-23.78,-2.1,;-26.35,-2.79,;-27.55,-3.76,;-28.84,-2.92,;-28.44,-1.43,;-26.9,-1.35,;-26.07,-.06,;-24.53,-.14,;-26.77,1.31,;-25.93,2.61,;-24.39,2.53,;-26.63,3.98,;-28.16,4.06,;-25.79,5.27,;-26.49,6.64,;-28.02,6.72,;-28.86,5.43,;-30.4,5.51,;-31.24,4.22,;-32.78,4.3,;-25.65,7.93,;-24.11,7.85,;-26.35,9.31,;-25.51,10.6,;-23.97,10.52,;-23.13,11.81,;-23.83,13.18,;-21.59,11.73,;-26.21,11.97,;-27.75,12.05,;-25.37,13.26,;-26.07,14.63,;-27.61,14.71,;-28.31,16.09,;-29.84,16.17,;-30.54,17.54,;-30.68,14.87,;-25.23,15.92,;-23.69,15.84,;-25.93,17.3,;-27.45,17.54,;-27.69,19.06,;-26.32,19.76,;-25.23,18.67,;-23.71,18.91,;-22.74,17.71,;-23.16,20.35,;-21.64,20.59,;-21.08,22.03,;-22.05,23.22,;-23.57,22.98,;-24.54,24.18,;-23.99,25.62,;-24.96,26.81,;-22.47,25.86,;-20.67,19.39,;-21.22,17.95,;-19.15,19.63,)|
Show InChI InChI=1S/C149H249N47O42/c1-10-30-84(31-11-2)146(237)238-77-106(191-134(224)103(74-197)171-115(204)72-154)136(226)187-101(70-83-32-13-12-14-33-83)132(222)186-100(69-80(5)6)131(221)190-105(76-199)143(233)194-65-27-42-108(194)138(228)180-95(50-56-117(207)208)127(217)188-102(71-85-73-165-78-169-85)133(223)179-92(46-52-112(156)201)125(215)175-90(39-24-62-167-148(161)162)129(219)192-118(81(7)8)140(230)181-93(47-53-113(157)202)126(216)177-91(45-51-111(155)200)124(214)174-89(38-23-61-166-147(159)160)121(211)173-87(35-16-20-58-151)120(210)178-94(49-55-116(205)206)128(218)189-104(75-198)135(225)176-88(36-17-21-59-152)122(212)182-96(37-18-22-60-153)141(231)196-67-29-44-110(196)144(234)195-66-28-41-107(195)137(227)170-82(9)119(209)172-86(34-15-19-57-150)123(213)185-99(68-79(3)4)130(220)183-97(48-54-114(158)203)142(232)193-64-26-43-109(193)139(229)184-98(145(235)236)40-25-63-168-149(163)164/h12-14,32-33,73,78-82,84,86-110,118,197-199H,10-11,15-31,34-72,74-77,150-154H2,1-9H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,227)(H,171,204)(H,172,209)(H,173,211)(H,174,214)(H,175,215)(H,176,225)(H,177,216)(H,178,210)(H,179,223)(H,180,228)(H,181,230)(H,182,212)(H,183,220)(H,184,229)(H,185,213)(H,186,222)(H,187,226)(H,188,217)(H,189,218)(H,190,221)(H,191,224)(H,192,219)(H,205,206)(H,207,208)(H,235,236)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,118-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.960n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422311
PNG
(CHEMBL2310890)
Show SMILES C\C=C\C=CC=CC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,w:5.4,3.2,wU:178.182,223.229,185.190,54.56,45.45,11.11,67.68,104.106,157.159,142.144,86.88,122.124,211.215,15.17,194.198,227.232,wD:97.99,151.153,26.25,58.59,37.37,166.168,77.79,113.115,133.135,203.207,189.194,(48.31,-12.34,;47.17,-11.31,;47.49,-9.8,;46.34,-8.77,;46.66,-7.27,;45.52,-6.24,;45.84,-4.73,;44.69,-3.7,;43.23,-4.18,;45.01,-2.19,;43.87,-1.16,;44.19,.34,;45.65,.82,;45.97,2.33,;44.83,3.36,;47.44,2.8,;48.58,1.77,;48.26,.26,;47.76,4.31,;49.22,4.78,;50.37,3.75,;49.54,6.29,;51.01,6.77,;43.04,1.37,;41.58,.9,;43.36,2.88,;42.22,3.91,;42.54,5.42,;41.4,6.45,;39.93,5.97,;38.79,7,;39.11,8.51,;40.57,8.98,;41.72,7.95,;40.76,3.43,;39.61,4.46,;40.44,1.93,;38.97,1.45,;37.83,2.48,;36.36,2.01,;36.04,.5,;35.22,3.04,;38.65,-.05,;39.8,-1.08,;37.19,-.53,;36.87,-2.04,;38.01,-3.07,;37.69,-4.57,;35.4,-2.51,;34.26,-1.48,;35.08,-4.02,;36.11,-5.16,;35.34,-6.5,;33.84,-6.18,;33.67,-4.65,;32.34,-3.88,;32.34,-2.34,;31.01,-4.65,;29.67,-3.88,;29.67,-2.34,;28.34,-1.57,;28.34,-.03,;29.67,.74,;27.01,.74,;28.34,-4.65,;28.34,-6.19,;27.01,-3.88,;25.67,-4.65,;25.67,-6.19,;24.34,-6.96,;22.93,-6.33,;21.9,-7.47,;22.67,-8.81,;24.18,-8.49,;24.34,-3.88,;24.34,-2.34,;23,-4.65,;21.67,-3.88,;21.67,-2.34,;23,-1.57,;23,-.03,;21.67,.74,;24.34,.74,;20.34,-4.65,;20.34,-6.19,;19,-3.88,;17.67,-4.65,;17.67,-6.19,;16.34,-6.96,;16.34,-8.5,;15,-9.27,;15,-10.81,;13.67,-11.58,;16.34,-11.58,;16.34,-3.88,;16.34,-2.34,;15,-4.65,;13.67,-3.88,;13.67,-2.34,;12.34,-1.57,;15,-1.57,;12.34,-4.65,;12.34,-6.19,;11,-3.88,;9.67,-4.65,;9.67,-6.19,;8.33,-6.96,;8.33,-8.5,;7,-9.27,;9.67,-9.27,;8.33,-3.88,;8.33,-2.34,;7,-4.65,;5.67,-3.88,;5.67,-2.34,;7,-1.57,;7,-.03,;5.67,.74,;8.33,.74,;4.33,-4.65,;4.33,-6.19,;3,-3.88,;1.67,-4.65,;1.67,-6.19,;.33,-6.96,;.33,-8.5,;1.67,-9.27,;1.67,-10.81,;3,-11.58,;.33,-11.58,;.33,-3.88,;.33,-2.34,;-1,-4.65,;-2.34,-3.88,;-2.34,-2.34,;-1,-1.57,;-1,-.03,;.33,.74,;.33,2.28,;-3.67,-4.65,;-3.67,-6.19,;-5,-3.88,;-6.34,-4.65,;-6.34,-6.19,;-7.67,-6.96,;-7.67,-8.5,;-9,-9.27,;-6.34,-9.27,;-7.67,-3.88,;-7.67,-2.34,;-9,-4.65,;-10.34,-3.88,;-10.34,-2.34,;-11.67,-1.57,;-11.67,-4.65,;-11.67,-6.19,;-13,-3.88,;-14.34,-4.65,;-14.34,-6.19,;-15.67,-6.96,;-15.67,-8.5,;-17.01,-9.27,;-17.01,-10.81,;-15.67,-3.88,;-15.67,-2.34,;-17.01,-4.65,;-18.34,-3.88,;-18.34,-2.34,;-17.01,-1.57,;-17.01,-.03,;-15.67,.74,;-15.67,2.28,;-19.67,-4.65,;-21.01,-3.88,;-19.67,-6.19,;-18.43,-7.09,;-18.9,-8.55,;-20.44,-8.55,;-20.92,-7.09,;-22.38,-6.61,;-22.7,-5.11,;-23.53,-7.64,;-23.37,-9.18,;-24.77,-9.8,;-25.8,-8.66,;-25.03,-7.32,;-25.66,-5.92,;-27.19,-5.76,;-24.76,-4.67,;-25.38,-3.26,;-24.48,-2.02,;-26.91,-3.1,;-27.82,-4.35,;-27.54,-1.7,;-29.07,-1.54,;-29.98,-2.78,;-29.35,-4.19,;-30.26,-5.43,;-29.63,-6.84,;-30.53,-8.09,;-29.7,-.13,;-28.79,1.12,;-31.23,.03,;-31.86,1.44,;-30.95,2.68,;-31.58,4.09,;-33.11,4.25,;-30.67,5.34,;-33.39,1.6,;-34.29,.35,;-34.01,3.01,;-35.55,3.17,;-36.45,1.92,;-37.98,2.08,;-38.89,.84,;-40.42,1,;-38.26,-.57,;-36.17,4.57,;-35.27,5.82,;-37.7,4.74,;-38.73,3.59,;-40.14,4.22,;-39.98,5.75,;-38.47,6.07,;-37.85,7.48,;-36.32,7.64,;-38.75,8.72,;-40.28,8.56,;-40.91,7.15,;-42.44,6.99,;-43.07,5.59,;-44.6,5.42,;-45.5,6.67,;-47.04,6.51,;-44.88,8.08,;-41.19,9.81,;-40.56,11.21,;-42.72,9.65,)|
Show InChI InChI=1S/C149H243N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h9-16,32-33,45,74,79-83,86-110,119,197-199H,17-31,34-44,46-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/b10-9+,12-11?,45-16?/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
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PC sid
UniChem
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n/an/a 0.980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094058
PNG
(CHEMBL263544 | GSS(heptyl carbonyl)FLSPEHQ-NH2)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C55H84N14O17/c1-4-5-6-7-11-16-46(76)86-29-41(68-52(82)39(27-70)61-44(73)25-56)53(83)65-37(23-32-13-9-8-10-14-32)50(80)64-36(22-31(2)3)49(79)67-40(28-71)55(85)69-21-12-15-42(69)54(84)63-35(18-20-45(74)75)48(78)66-38(24-33-26-59-30-60-33)51(81)62-34(47(58)77)17-19-43(57)72/h8-10,13-14,26,30-31,34-42,70-71H,4-7,11-12,15-25,27-29,56H2,1-3H3,(H2,57,72)(H2,58,77)(H,59,60)(H,61,73)(H,62,81)(H,63,84)(H,64,80)(H,65,83)(H,66,78)(H,67,79)(H,68,82)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42+/m0/s1
Reactome pathway
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PC sid
UniChem
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094051
PNG
(CHEMBL412565 | GSS(heptyl carboxamide)FLSPEHQRVQQR...)
Show SMILES CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C76H121N23O23/c1-6-7-8-9-13-20-59(105)85-36-52(96-71(117)53(37-100)87-60(106)34-77)70(116)94-50(32-42-16-11-10-12-17-42)68(114)93-49(31-40(2)3)67(113)97-54(38-101)74(120)99-30-15-19-55(99)72(118)90-47(24-28-61(107)108)65(111)95-51(33-43-35-83-39-86-43)69(115)89-45(21-25-56(78)102)63(109)88-44(18-14-29-84-76(81)82)66(112)98-62(41(4)5)73(119)91-46(22-26-57(79)103)64(110)92-48(75(121)122)23-27-58(80)104/h10-12,16-17,35,39-41,44-55,62,100-101H,6-9,13-15,18-34,36-38,77H2,1-5H3,(H2,78,102)(H2,79,103)(H2,80,104)(H,83,86)(H,85,105)(H,87,106)(H,88,109)(H,89,115)(H,90,118)(H,91,119)(H,92,110)(H,93,114)(H,94,116)(H,95,111)(H,96,117)(H,97,113)(H,98,112)(H,107,108)(H,121,122)(H4,81,82,84)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,62-/m0/s1
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PC cid
PC sid
UniChem
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102231
PNG
(2-(1-amino-1-methylethylcarboxamido)-3-[1-methylsu...)
Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C28H44N4O6S/c1-5-6-7-8-9-14-24(33)38-19-22(30-26(35)27(2,3)29)25(34)31-17-15-28(16-18-31)20-32(39(4,36)37)23-13-11-10-12-21(23)28/h10-13,22H,5-9,14-20,29H2,1-4H3,(H,30,35)/t22-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094057
PNG
(CHEMBL410108 | GSS(heptyl carbonyl)FLSPEHQRVQQ)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C76H120N22O24/c1-6-7-8-9-13-20-61(107)122-38-54(96-70(115)52(36-99)86-59(104)34-77)71(116)93-50(32-42-16-11-10-12-17-42)68(113)92-49(31-40(2)3)67(112)95-53(37-100)74(119)98-30-15-19-55(98)72(117)89-47(24-28-60(105)106)65(110)94-51(33-43-35-83-39-85-43)69(114)88-45(21-25-56(78)101)63(108)87-44(18-14-29-84-76(81)82)66(111)97-62(41(4)5)73(118)90-46(22-26-57(79)102)64(109)91-48(75(120)121)23-27-58(80)103/h10-12,16-17,35,39-41,44-55,62,99-100H,6-9,13-15,18-34,36-38,77H2,1-5H3,(H2,78,101)(H2,79,102)(H2,80,103)(H,83,85)(H,86,104)(H,87,108)(H,88,114)(H,89,117)(H,90,118)(H,91,109)(H,92,113)(H,93,116)(H,94,110)(H,95,112)(H,96,115)(H,97,111)(H,105,106)(H,120,121)(H4,81,82,84)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,62-/m0/s1
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PC cid
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UniChem
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n/an/a 9.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422318
PNG
(CHEMBL2310894)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:29.29,222.229,22.21,107.109,182.198,54.58,141.149,163.171,36.43,89.96,69.76,210.215,8.13,226.232,wD:150.152,157.163,171.183,131.140,98.105,122.129,45.52,60.67,111.120,78.87,4.4,196.204,17.17,(-23.58,13.02,;-22.88,11.65,;-21.34,11.57,;-23.72,10.36,;-25.26,10.44,;-26.1,9.15,;-25.4,7.78,;-23.86,7.7,;-26.24,6.48,;-27.77,6.56,;-28.61,5.27,;-30.15,5.35,;-30.99,4.06,;-32.53,4.14,;-25.54,5.11,;-26.37,3.82,;-27.91,3.9,;-25.68,2.45,;-24.14,2.37,;-26.51,1.16,;-25.81,-.22,;-24.28,-.3,;-26.65,-1.51,;-28.19,-1.59,;-28.59,-3.08,;-27.3,-3.91,;-26.1,-2.94,;-24.61,-3.34,;-23.53,-2.25,;-24.22,-4.83,;-25.18,-6.03,;-24.35,-7.32,;-22.86,-6.92,;-22.78,-5.38,;-21.49,-4.54,;-21.57,-3.01,;-20.11,-5.24,;-20.03,-6.78,;-18.66,-7.48,;-18.58,-9.02,;-17.21,-9.72,;-17.13,-11.25,;-18.82,-4.4,;-17.45,-5.1,;-17.37,-6.64,;-16.16,-4.26,;-16.24,-2.73,;-17.61,-2.03,;-17.69,-.49,;-19.06,.21,;-19.15,1.75,;-14.79,-4.96,;-13.49,-4.12,;-13.58,-2.59,;-12.12,-4.82,;-12.04,-6.36,;-13.33,-7.2,;-10.83,-3.98,;-9.46,-4.68,;-9.38,-6.22,;-8.17,-3.84,;-8.25,-2.31,;-9.62,-1.61,;-9.7,-.07,;-8.41,.77,;-11.07,.63,;-6.8,-4.54,;-5.5,-3.7,;-5.58,-2.17,;-4.13,-4.4,;-4.05,-5.94,;-2.68,-6.64,;-2.6,-8.18,;-1.23,-8.88,;-1.15,-10.42,;-2.84,-3.56,;-1.47,-4.26,;-1.39,-5.8,;-.18,-3.43,;-.26,-1.89,;-1.63,-1.19,;-1.71,.35,;-3.08,1.05,;-3.16,2.59,;-4.54,3.29,;-1.87,3.43,;1.2,-4.12,;2.49,-3.29,;2.41,-1.75,;3.86,-3.98,;3.94,-5.52,;5.31,-6.22,;5.39,-7.76,;6.77,-8.46,;4.1,-8.6,;5.15,-3.15,;6.52,-3.84,;6.6,-5.38,;7.81,-3.01,;7.73,-1.47,;6.36,-.77,;6.28,.77,;4.91,1.47,;7.57,1.61,;9.19,-3.7,;10.48,-2.87,;10.4,-1.33,;11.85,-3.56,;13.14,-2.73,;14.51,-3.43,;14.59,-4.96,;15.81,-2.59,;15.72,-1.05,;14.35,-.35,;14.27,1.19,;12.9,1.89,;12.82,3.43,;11.45,4.12,;14.11,4.26,;17.18,-3.29,;18.47,-2.45,;18.39,-.91,;19.84,-3.15,;21.13,-2.31,;21.05,-.77,;22.34,.07,;22.26,1.61,;23.86,.31,;19.92,-4.68,;21.29,-5.38,;21.38,-6.92,;22.59,-4.54,;22.51,-3.01,;23.8,-2.17,;23.88,-.63,;25.36,-.23,;26.2,-1.52,;25.23,-2.72,;23.96,-5.24,;25.25,-4.4,;26.09,-3.11,;26.62,-5.1,;26.7,-6.64,;25.41,-7.48,;25.49,-9.02,;26.86,-9.72,;24.2,-9.86,;27.91,-4.26,;29.29,-4.96,;29.37,-6.5,;30.58,-4.12,;30.66,-2.59,;32.15,-2.19,;32.98,-3.48,;32.01,-4.68,;32.41,-6.16,;31.32,-7.25,;33.9,-6.56,;34.99,-5.47,;34.59,-3.99,;34.3,-8.05,;35.79,-8.45,;36.88,-7.36,;36.19,-9.94,;35.1,-11.02,;33.61,-10.63,;32.52,-11.71,;33.21,-9.14,;37.67,-10.33,;38.07,-11.82,;36.98,-12.91,;39.56,-12.22,;40.65,-11.13,;40.25,-9.64,;38.76,-9.24,;38.36,-7.76,;39.45,-6.67,;40.94,-7.07,;41.34,-8.55,;39.96,-13.71,;41.45,-14.11,;42.53,-13.02,;41.84,-15.59,;40.76,-16.68,;39.27,-16.28,;38.18,-17.37,;36.69,-16.97,;38.58,-18.86,;37.49,-19.95,;37.89,-21.44,;39.38,-21.84,;40.46,-20.75,;40.07,-19.26,;43.33,-15.99,;43.73,-17.48,;42.64,-18.57,;45.22,-17.88,;46.31,-16.79,;45.91,-15.3,;45.62,-19.37,;47.1,-19.76,;48.19,-18.67,;47.5,-21.25,;48.99,-21.65,;11.93,-5.1,;10.64,-5.94,;13.3,-5.8,;-25.96,11.81,;-27.49,11.89,;-25.12,13.1,;-25.82,14.48,;-27.36,14.56,;-28.05,15.93,;-29.59,16.01,;-30.29,17.38,;-30.43,14.72,;-24.98,15.77,;-23.44,15.69,;-25.68,17.14,;-27.2,17.38,;-27.44,18.9,;-26.07,19.6,;-24.98,18.51,;-23.46,18.75,;-22.49,17.56,;-22.91,20.19,;-21.38,20.43,;-20.83,21.87,;-21.8,23.07,;-23.32,22.82,;-24.29,24.02,;-23.74,25.46,;-24.71,26.66,;-22.22,25.7,;-20.42,19.23,;-20.97,17.8,;-18.89,19.48,)|
Show InChI InChI=1S/C148H239N47O42/c1-78(2)67-98(129(219)182-96(47-53-113(157)202)141(231)192-63-25-42-108(192)138(228)183-97(144(234)235)39-24-62-167-148(162)163)184-122(212)85(33-14-18-56-149)171-118(208)81(7)169-136(226)106-40-27-65-194(106)143(233)109-43-28-66-195(109)140(230)95(36-17-21-59-152)181-121(211)87(35-16-20-58-151)175-134(224)103(74-197)188-127(217)93(48-54-115(204)205)177-119(209)86(34-15-19-57-150)172-120(210)88(37-22-60-165-146(158)159)173-123(213)90(44-50-110(154)199)176-125(215)92(46-52-112(156)201)180-139(229)117(80(5)6)191-128(218)89(38-23-61-166-147(160)161)174-124(214)91(45-51-111(155)200)178-132(222)101(70-84-72-164-77-168-84)187-126(216)94(49-55-116(206)207)179-137(227)107-41-26-64-193(107)142(232)104(75-198)189-130(220)99(68-79(3)4)185-131(221)100(69-82-29-10-8-11-30-82)186-135(225)105(76-237-145(236)83-31-12-9-13-32-83)190-133(223)102(73-196)170-114(203)71-153/h8-13,29-32,72,77-81,85-109,117,196-198H,14-28,33-71,73-76,149-153H2,1-7H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H,164,168)(H,169,226)(H,170,203)(H,171,208)(H,172,210)(H,173,213)(H,174,214)(H,175,224)(H,176,215)(H,177,209)(H,178,222)(H,179,227)(H,180,229)(H,181,211)(H,182,219)(H,183,228)(H,184,212)(H,185,221)(H,186,225)(H,187,216)(H,188,217)(H,189,220)(H,190,223)(H,191,218)(H,204,205)(H,206,207)(H,234,235)(H4,158,159,165)(H4,160,161,166)(H4,162,163,167)/t81-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102233
PNG
(1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](COCc2ccccc2)NC(=O)[C@H](CO)NC(=O)CN)c2ccccc12
Show InChI InChI=1S/C28H37N5O7S/c1-41(38,39)33-19-28(21-9-5-6-10-24(21)33)11-13-32(14-12-28)27(37)23(18-40-17-20-7-3-2-4-8-20)31-26(36)22(16-34)30-25(35)15-29/h2-10,22-23,34H,11-19,29H2,1H3,(H,30,35)(H,31,36)/t22-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...


Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422310
PNG
(CHEMBL2310893)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:178.182,223.229,185.190,54.56,20.19,67.68,37.37,104.106,157.159,142.144,122.124,211.215,11.11,194.198,227.232,wD:97.99,45.45,151.153,26.25,58.59,166.168,77.79,113.115,133.135,86.88,203.207,189.194,(61.01,-15.33,;59.47,-15.44,;58.61,-14.16,;57.08,-14.27,;56.21,-13,;54.68,-13.11,;53.81,-11.83,;52.28,-11.94,;51.6,-13.33,;51.41,-10.67,;49.88,-10.78,;49.01,-9.5,;49.69,-8.12,;51.22,-8.01,;52.09,-9.28,;51.89,-6.62,;53.43,-6.51,;47.48,-9.61,;46.8,-11,;46.61,-8.34,;45.08,-8.45,;44.41,-9.83,;42.87,-9.94,;44.21,-7.17,;44.89,-5.79,;42.68,-7.28,;41.81,-6.01,;42.49,-4.62,;41.62,-3.35,;40.09,-3.46,;39.22,-2.18,;39.9,-.79,;41.43,-.68,;42.3,-1.96,;40.28,-6.12,;39.61,-7.5,;39.42,-4.84,;37.88,-4.95,;37.21,-6.34,;35.67,-6.45,;35,-7.83,;34.81,-5.17,;37.02,-3.68,;37.69,-2.29,;35.48,-3.79,;34.62,-2.51,;35.29,-1.13,;34.43,.15,;33.08,-2.62,;32.22,-1.35,;32.41,-4.01,;33.13,-5.36,;32.07,-6.47,;30.68,-5.8,;30.89,-4.28,;29.78,-3.21,;30.15,-1.71,;28.3,-3.64,;27.19,-2.57,;27.56,-1.07,;26.45,-.01,;26.82,1.49,;25.71,2.56,;28.3,1.92,;25.71,-2.99,;25.34,-4.49,;24.6,-1.93,;23.12,-2.35,;22.75,-3.85,;21.27,-4.28,;20.06,-3.33,;18.78,-4.19,;19.21,-5.67,;20.75,-5.72,;22.01,-1.29,;22.38,.21,;20.53,-1.71,;19.42,-.65,;19.79,.85,;21.27,1.28,;21.64,2.77,;20.53,3.84,;23.12,3.2,;17.95,-1.07,;17.58,-2.57,;16.84,-.01,;15.36,-.43,;14.25,.64,;14.62,2.13,;13.51,3.2,;13.88,4.69,;12.77,5.76,;13.14,7.26,;11.29,5.33,;14.99,-1.93,;16.1,-2.99,;13.51,-2.35,;12.4,-1.29,;12.77,.21,;11.66,1.28,;13.71,1.42,;10.92,-1.71,;10.55,-3.21,;9.81,-.65,;8.33,-1.07,;7.96,-2.57,;6.48,-2.99,;6.11,-4.49,;7.22,-5.56,;4.63,-4.92,;7.22,-.01,;7.59,1.49,;5.74,-.43,;4.63,.64,;5,2.13,;6.48,2.56,;6.85,4.05,;5.74,5.12,;8.33,4.48,;3.15,.21,;2.04,1.28,;2.78,-1.29,;1.3,-1.71,;.93,-3.21,;-.55,-3.64,;-.92,-5.13,;.19,-6.2,;-.18,-7.69,;.93,-8.76,;-1.66,-8.12,;.19,-.65,;.56,.85,;-1.29,-1.07,;-2.4,-.01,;-2.03,1.49,;-.55,1.92,;-.18,3.41,;1.3,3.84,;1.67,5.33,;-3.88,-.43,;-4.25,-1.93,;-4.99,.64,;-6.47,.21,;-6.84,-1.29,;-8.32,-1.71,;-8.69,-3.21,;-7.58,-4.28,;-10.17,-3.64,;-7.58,1.28,;-7.21,2.77,;-9.06,.85,;-10.17,1.92,;-9.8,3.41,;-10.91,4.48,;-11.65,1.49,;-12.02,-.01,;-12.76,2.56,;-14.24,2.13,;-14.61,.64,;-16.09,.21,;-16.46,-1.29,;-17.4,-2.5,;-16.82,-3.93,;-15.35,3.2,;-14.98,4.69,;-16.83,2.77,;-17.91,1.55,;-19.5,1.12,;-19.78,1.92,;-21.26,1.49,;-22.37,2.56,;-23.85,2.13,;-17.87,-.11,;-19.4,-.22,;-17,-1.38,;-15.47,-1.44,;-15.04,-2.91,;-16.31,-3.78,;-17.67,-3,;-19.01,-3.26,;-20.02,-2.1,;-19.51,-4.72,;-18.62,-5.98,;-19.55,-7.21,;-21,-6.71,;-20.98,-5.17,;-22.21,-4.24,;-23.63,-4.85,;-22.03,-2.72,;-23.26,-1.79,;-23.07,-.26,;-24.67,-2.4,;-24.86,-3.92,;-25.91,-1.47,;-27.32,-2.08,;-27.51,-3.6,;-26.27,-4.53,;-26.46,-6.06,;-25.23,-6.98,;-25.41,-8.51,;-28.55,-1.15,;-28.37,.38,;-29.97,-1.76,;-31.2,-.83,;-31.02,.7,;-32.25,1.62,;-33.66,1.02,;-32.06,3.15,;-32.62,-1.44,;-32.8,-2.96,;-33.85,-.51,;-35.27,-1.12,;-35.45,-2.64,;-36.87,-3.25,;-37.05,-4.78,;-38.47,-5.38,;-35.82,-5.7,;-36.5,-.19,;-36.31,1.34,;-37.91,-.8,;-38.26,-2.3,;-39.79,-2.43,;-40.4,-1.02,;-39.24,-0,;-39.37,1.53,;-38.11,2.41,;-40.77,2.18,;-40.91,3.71,;-42.3,4.36,;-42.44,5.89,;-43.84,6.54,;-43.97,8.08,;-42.71,8.96,;-42.85,10.49,;-41.32,8.31,;-39.65,4.6,;-38.25,3.95,;-39.78,6.13,)|
Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(171-115(204)73-154)137(227)190-104(76-198)136(226)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)191-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-103(75-197)135(225)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,225)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,219)(H,190,227)(H,191,222)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094055
PNG
(CHEMBL422461 | GSS(heptyl carbonyl)FL-NH2)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C31H50N6O8/c1-4-5-6-7-11-14-27(40)45-19-25(37-30(43)24(18-38)34-26(39)17-32)31(44)36-23(16-21-12-9-8-10-13-21)29(42)35-22(28(33)41)15-20(2)3/h8-10,12-13,20,22-25,38H,4-7,11,14-19,32H2,1-3H3,(H2,33,41)(H,34,39)(H,35,42)(H,36,44)(H,37,43)/t22-,23-,24-,25-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102236
PNG
(2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...)
Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23+/m0/s1
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n/an/a 128n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...


Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102232
PNG
(1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](COCc2ccccc2)NC(=O)[C@@H](N)CO)c2ccccc12
Show InChI InChI=1S/C26H34N4O6S/c1-37(34,35)30-18-26(20-9-5-6-10-23(20)30)11-13-29(14-12-26)25(33)22(28-24(32)21(27)15-31)17-36-16-19-7-3-2-4-8-19/h2-10,21-22,31H,11-18,27H2,1H3,(H,28,32)/t21-,22+/m0/s1
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n/an/a 209n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...


Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102234
PNG
(2-(1-amino-1-methylethylcarboxamido)-3-[1-methylsu...)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C28H44N4O6S/c1-5-6-7-8-9-14-24(33)38-19-22(30-26(35)27(2,3)29)25(34)31-17-15-28(16-18-31)20-32(39(4,36)37)23-13-11-10-12-21(23)28/h10-13,22H,5-9,14-20,29H2,1-4H3,(H,30,35)/t22-/m0/s1
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n/an/a 591n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...


Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102235
PNG
(2-[1-amino-2-hydroxy-(1S)-ethylcarboxamido]-3-[1-m...)
Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H42N4O7S/c1-3-4-5-6-7-12-24(33)38-18-22(29-25(34)21(28)17-32)26(35)30-15-13-27(14-16-30)19-31(39(2,36)37)23-11-9-8-10-20(23)27/h8-11,21-22,32H,3-7,12-19,28H2,1-2H3,(H,29,34)/t21-,22+/m0/s1
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n/an/a 829n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102238
PNG
(2-[1-[1-aminomethylcarboxamido-2-heptylcarbonyloxy...)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H38N4O8/c1-2-3-4-5-9-12-22(32)37-16-20(27-21(31)14-26)24(34)29-19(15-30)23(33)28-18(25(35)36)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,30H,2-5,9,12-16,26H2,1H3,(H,27,31)(H,28,33)(H,29,34)(H,35,36)/t18-,19-,20-/m0/s1
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n/an/a 889n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...


Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094064
PNG
(CHEMBL335799 | GSS(heptyl carbonyl)F-NH2)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N5O7/c1-2-3-4-5-9-12-22(33)37-16-20(30-24(35)19(15-31)28-21(32)14-26)25(36)29-18(23(27)34)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,31H,2-5,9,12-16,26H2,1H3,(H2,27,34)(H,28,32)(H,29,36)(H,30,35)/t18-,19-,20-/m0/s1
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n/an/a 889n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422314
PNG
(CHEMBL2310892)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:178.182,185.190,223.229,97.99,34.37,151.153,58.59,15.19,166.168,113.115,133.135,211.215,194.198,227.232,wD:54.56,11.11,23.31,67.68,104.106,77.79,157.159,142.144,86.88,122.124,203.207,40.43,189.194,(47.19,-3.87,;45.71,-3.47,;44.62,-4.56,;43.13,-4.16,;42.04,-5.25,;40.55,-4.86,;39.46,-5.94,;37.98,-5.55,;37.58,-4.06,;36.89,-6.64,;35.4,-6.24,;34.31,-7.33,;34.71,-8.81,;36.2,-9.21,;37.29,-8.12,;36.6,-10.7,;35.51,-11.79,;34.02,-11.39,;32.93,-12.48,;33.62,-9.9,;38.08,-11.1,;38.48,-12.58,;37.39,-13.67,;39.97,-12.98,;41.06,-11.89,;40.66,-10.41,;39.17,-10.01,;38.77,-8.52,;39.86,-7.43,;41.35,-7.83,;41.75,-9.32,;40.37,-14.47,;41.86,-14.87,;42.95,-13.78,;42.26,-16.36,;41.17,-17.45,;39.68,-17.05,;43.74,-16.76,;44.14,-18.24,;43.05,-19.33,;45.63,-18.64,;46.72,-17.55,;46.32,-16.06,;46.03,-20.13,;47.52,-20.53,;48.6,-19.44,;47.91,-22.01,;49.4,-22.41,;32.82,-6.93,;31.74,-8.02,;32.43,-5.44,;33.39,-4.24,;32.56,-2.95,;31.07,-3.35,;30.99,-4.89,;29.7,-5.73,;29.78,-7.26,;28.32,-5.03,;27.03,-5.87,;27.11,-7.4,;25.82,-8.24,;25.9,-9.78,;27.27,-10.48,;24.61,-10.62,;25.66,-5.17,;26.5,-3.88,;24.37,-6.01,;23,-5.31,;22.92,-3.77,;24.21,-2.93,;24.29,-1.39,;25.78,-.99,;26.61,-2.29,;25.65,-3.48,;21.71,-6.15,;21.79,-7.68,;20.33,-5.45,;20.25,-3.91,;21.54,-3.07,;21.46,-1.53,;22.75,-.69,;24.28,-.45,;22.67,.84,;18.88,-3.21,;18.8,-1.67,;17.59,-4.05,;16.22,-3.35,;16.14,-1.81,;14.76,-1.11,;14.68,.42,;13.31,1.12,;13.23,2.66,;11.86,3.36,;14.52,3.5,;14.92,-4.19,;15.01,-5.73,;13.55,-3.49,;12.26,-4.33,;12.34,-5.87,;11.05,-6.71,;13.71,-6.57,;10.89,-3.63,;10.81,-2.09,;9.6,-4.47,;8.23,-3.77,;8.14,-2.23,;6.77,-1.53,;6.69,.01,;7.98,.84,;5.32,.7,;6.93,-4.61,;7.01,-6.15,;5.56,-3.91,;4.27,-4.75,;4.35,-6.29,;5.72,-6.98,;5.8,-8.52,;4.51,-9.36,;7.18,-9.22,;2.9,-4.05,;2.82,-2.51,;1.61,-4.89,;.23,-4.19,;.15,-2.65,;-1.22,-1.95,;-1.3,-.41,;-2.67,.29,;-2.75,1.82,;-4.12,2.52,;-1.46,2.66,;-1.06,-5.03,;-.98,-6.57,;-2.43,-4.33,;-3.72,-5.17,;-3.64,-6.71,;-2.27,-7.4,;-2.19,-8.94,;-.81,-9.64,;-.73,-11.18,;-5.09,-4.47,;-5.17,-2.93,;-6.38,-5.31,;-7.76,-4.61,;-7.84,-3.07,;-9.21,-2.37,;-9.29,-.83,;-8,.01,;-10.66,-.13,;-9.05,-5.45,;-8.97,-6.98,;-10.42,-4.75,;-11.71,-5.59,;-11.63,-7.12,;-12.92,-7.96,;-13.08,-4.89,;-13.16,-3.35,;-14.38,-5.73,;-15.75,-5.03,;-15.83,-3.49,;-17.2,-2.79,;-17.28,-1.25,;-18.65,-.55,;-18.73,.98,;-17.04,-5.87,;-16.96,-7.4,;-18.41,-5.17,;-19.7,-6.01,;-19.62,-7.54,;-18.25,-8.24,;-18.17,-9.78,;-16.8,-10.48,;-16.72,-12.02,;-21.08,-5.31,;-21.16,-3.77,;-22.37,-6.15,;-22.45,-7.68,;-23.93,-8.08,;-24.77,-6.79,;-23.8,-5.59,;-24.2,-4.11,;-23.11,-3.02,;-25.69,-3.71,;-26.89,-4.68,;-28.18,-3.84,;-27.78,-2.35,;-26.24,-2.27,;-25.4,-.98,;-23.87,-1.06,;-26.1,.39,;-25.26,1.68,;-23.73,1.6,;-25.96,3.06,;-27.5,3.14,;-25.13,4.35,;-25.82,5.72,;-27.36,5.8,;-28.2,4.51,;-29.74,4.59,;-30.58,3.3,;-32.12,3.38,;-24.99,7.01,;-23.45,6.93,;-25.69,8.38,;-24.85,9.68,;-23.31,9.6,;-22.47,10.89,;-23.17,12.26,;-20.93,10.81,;-25.55,11.05,;-27.08,11.13,;-24.71,12.34,;-25.41,13.71,;-26.94,13.79,;-27.64,15.16,;-29.18,15.24,;-29.88,16.62,;-30.02,13.95,;-24.57,15,;-23.03,14.92,;-25.27,16.38,;-26.79,16.62,;-27.03,18.14,;-25.66,18.84,;-24.57,17.75,;-23.05,17.99,;-22.08,16.79,;-22.5,19.43,;-20.97,19.67,;-20.42,21.11,;-21.39,22.3,;-22.91,22.06,;-23.88,23.26,;-23.33,24.7,;-24.3,25.89,;-21.81,24.94,;-20,18.47,;-20.56,17.03,;-18.48,18.71,)|
Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-132(222)100(70-81(4)5)186-133(223)101(71-84-32-14-13-15-33-84)187-137(227)105(77-199)190-135(225)103(75-197)171-115(204)73-154)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,225)(H,191,222)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422312
PNG
(CHEMBL2310886)
Show SMILES CCCNC(=O)CCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:55.57,46.46,12.12,27.26,68.69,105.107,158.160,143.145,87.89,123.125,204.208,16.18,190.195,wD:179.183,224.230,186.191,98.100,152.154,59.60,38.38,167.169,78.80,114.116,134.136,212.216,195.199,228.233,(50.89,21.84,;50.57,20.33,;49.11,19.86,;48.79,18.35,;47.32,17.88,;46.18,18.91,;47,16.37,;45.54,15.89,;45.22,14.39,;46.36,13.36,;43.75,13.91,;43.43,12.41,;41.97,11.93,;40.83,12.96,;39.36,12.48,;39.04,10.98,;38.22,13.51,;38.54,15.02,;40,15.5,;36.75,13.04,;35.61,14.07,;35.93,15.58,;34.14,13.59,;33,14.62,;41.65,10.42,;42.79,9.39,;40.19,9.95,;39.87,8.44,;41.01,7.41,;40.69,5.9,;41.83,4.87,;41.51,3.37,;40.05,2.89,;38.9,3.92,;39.22,5.43,;38.4,7.97,;37.26,9,;38.08,6.46,;36.62,5.98,;35.47,7.01,;34.01,6.54,;33.69,5.03,;32.86,7.57,;36.3,4.48,;37.44,3.45,;34.83,4,;34.51,2.49,;35.66,1.46,;35.33,-.04,;33.05,2.02,;31.9,3.05,;32.73,.51,;33.76,-.63,;32.99,-1.97,;31.48,-1.65,;31.32,-.11,;29.99,.66,;29.99,2.2,;28.65,-.11,;27.32,.66,;27.32,2.2,;25.98,2.97,;25.98,4.51,;24.65,5.28,;27.32,5.28,;25.98,-.11,;25.98,-1.65,;24.65,.66,;23.32,-.11,;23.32,-1.65,;21.98,-2.42,;21.82,-3.96,;20.32,-4.28,;19.55,-2.94,;20.58,-1.8,;21.98,.66,;21.98,2.2,;20.65,-.11,;19.32,.66,;19.32,2.2,;20.65,2.97,;20.65,4.51,;19.32,5.28,;21.98,5.28,;17.98,-.11,;17.98,-1.65,;16.65,.66,;15.31,-.11,;15.31,-1.65,;13.98,-2.42,;13.98,-3.96,;12.65,-4.73,;12.65,-6.27,;11.31,-7.04,;13.98,-7.04,;13.98,.66,;13.98,2.2,;12.65,-.11,;11.31,.66,;11.31,2.2,;9.98,2.97,;12.65,2.97,;9.98,-.11,;9.98,-1.65,;8.65,.66,;7.31,-.11,;7.31,-1.65,;5.98,-2.42,;5.98,-3.96,;7.31,-4.73,;4.65,-4.73,;5.98,.66,;5.98,2.2,;4.65,-.11,;3.31,.66,;3.31,2.2,;4.65,2.97,;4.65,4.51,;3.31,5.28,;5.98,5.28,;1.98,-.11,;1.98,-1.65,;.64,.66,;-.69,-.11,;-.69,-1.65,;-2.02,-2.42,;-2.02,-3.96,;-3.36,-4.73,;-3.36,-6.27,;-4.69,-7.04,;-2.02,-7.04,;-2.02,.66,;-2.02,2.2,;-3.36,-.11,;-4.69,.66,;-4.69,2.2,;-3.36,2.97,;-3.36,4.51,;-2.02,5.28,;-2.02,6.82,;-6.02,-.11,;-6.02,-1.65,;-7.36,.66,;-8.69,-.11,;-8.69,-1.65,;-10.03,-2.42,;-10.03,-3.96,;-8.69,-4.73,;-11.36,-4.73,;-10.03,.66,;-10.03,2.2,;-11.36,-.11,;-12.69,.66,;-12.69,2.2,;-14.03,2.97,;-14.03,-.11,;-14.03,-1.65,;-15.36,.66,;-16.69,-.11,;-16.69,-1.65,;-18.03,-2.42,;-18.03,-3.96,;-19.36,-4.73,;-19.36,-6.27,;-18.03,.66,;-18.03,2.2,;-19.36,-.11,;-20.69,.66,;-20.69,2.2,;-19.36,2.97,;-19.36,4.51,;-18.03,5.28,;-18.03,6.82,;-22.03,-.11,;-22.03,-1.65,;-23.36,.66,;-23.52,2.19,;-25.03,2.51,;-25.8,1.17,;-24.77,.03,;-25.09,-1.48,;-23.94,-2.51,;-26.55,-1.95,;-27.8,-1.05,;-29.05,-1.95,;-28.57,-3.42,;-27.03,-3.42,;-26.12,-4.66,;-24.59,-4.5,;-26.75,-6.07,;-25.85,-7.32,;-24.31,-7.16,;-26.47,-8.72,;-28,-8.88,;-25.57,-9.97,;-26.19,-11.38,;-27.72,-11.54,;-28.63,-10.29,;-30.16,-10.45,;-31.07,-9.21,;-32.6,-9.37,;-25.29,-12.62,;-23.76,-12.46,;-25.91,-14.03,;-25.01,-15.27,;-23.48,-15.11,;-22.57,-16.36,;-23.2,-17.77,;-21.04,-16.2,;-25.64,-16.68,;-27.17,-16.84,;-24.73,-17.93,;-25.36,-19.33,;-26.89,-19.5,;-27.51,-20.9,;-29.05,-21.06,;-29.67,-22.47,;-29.95,-19.82,;-24.45,-20.58,;-22.92,-20.42,;-25.08,-21.99,;-26.58,-22.31,;-26.75,-23.84,;-25.34,-24.47,;-24.31,-23.32,;-22.78,-23.48,;-21.87,-22.24,;-22.15,-24.89,;-23.06,-26.13,;-24.59,-25.97,;-25.49,-27.22,;-27.02,-27.06,;-27.93,-28.3,;-27.3,-29.71,;-28.21,-30.96,;-25.77,-29.87,;-22.43,-27.54,;-20.9,-27.7,;-23.33,-28.79,)|
Show InChI InChI=1S/C148H246N48O43/c1-9-59-165-113(204)51-54-117(210)239-76-104(191-134(226)101(73-197)171-114(205)71-153)136(228)187-99(69-82-28-11-10-12-29-82)132(224)186-98(68-79(4)5)131(223)190-103(75-199)143(235)194-64-25-38-106(194)138(230)180-93(46-53-116(208)209)127(219)188-100(70-83-72-164-77-169-83)133(225)179-90(42-48-110(155)201)125(217)175-88(35-22-61-167-147(160)161)129(221)192-118(80(6)7)140(232)181-91(43-49-111(156)202)126(218)177-89(41-47-109(154)200)124(216)174-87(34-21-60-166-146(158)159)121(213)173-85(31-14-18-56-150)120(212)178-92(45-52-115(206)207)128(220)189-102(74-198)135(227)176-86(32-15-19-57-151)122(214)182-94(33-16-20-58-152)141(233)196-66-27-40-108(196)144(236)195-65-26-37-105(195)137(229)170-81(8)119(211)172-84(30-13-17-55-149)123(215)185-97(67-78(2)3)130(222)183-95(44-50-112(157)203)142(234)193-63-24-39-107(193)139(231)184-96(145(237)238)36-23-62-168-148(162)163/h10-12,28-29,72,77-81,84-108,118,197-199H,9,13-27,30-71,73-76,149-153H2,1-8H3,(H2,154,200)(H2,155,201)(H2,156,202)(H2,157,203)(H,164,169)(H,165,204)(H,170,229)(H,171,205)(H,172,211)(H,173,213)(H,174,216)(H,175,217)(H,176,227)(H,177,218)(H,178,212)(H,179,225)(H,180,230)(H,181,232)(H,182,214)(H,183,222)(H,184,231)(H,185,215)(H,186,224)(H,187,228)(H,188,219)(H,189,220)(H,190,223)(H,191,226)(H,192,221)(H,206,207)(H,208,209)(H,237,238)(H4,158,159,166)(H4,160,161,167)(H4,162,163,168)/t81-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,118-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50267949
PNG
((4S)-4-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-(a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(C)=O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:8.16,39.39,48.50,80.82,91.93,116.118,136.138,151.153,160.162,183.188,107.109,61.62,197.201,wD:4.4,52.53,71.73,127.129,145.147,172.176,179.184,188.192,205.209,217.223,221.226,19.25,28.31,98.100,(7.5,-7.44,;6.19,-6.65,;6.22,-5.11,;4.85,-7.38,;3.53,-6.58,;2.17,-7.32,;2.13,-8.86,;3.45,-9.66,;.79,-9.61,;-.52,-8.8,;-.49,-7.26,;.84,-6.54,;.87,-5,;-.44,-4.21,;-1.79,-4.95,;-1.81,-6.48,;.76,-11.15,;-.58,-11.89,;-1.9,-11.1,;-.61,-13.43,;.71,-14.22,;2.06,-13.47,;3.38,-14.26,;4.72,-13.51,;3.36,-15.8,;-1.95,-14.18,;-3.48,-14.2,;-4.27,-12.86,;-4.25,-15.54,;-3.47,-16.87,;-1.91,-16.85,;-5.79,-15.56,;-6.55,-16.9,;-5.77,-18.23,;-8.09,-16.92,;-8.85,-18.26,;3.56,-5.04,;2.24,-4.24,;4.91,-4.31,;4.94,-2.77,;3.63,-1.97,;3.67,-.46,;6.29,-2.01,;7.6,-2.82,;6.4,-.49,;5.22,.69,;5.95,2.19,;7.6,1.94,;7.62,.4,;8.97,-.3,;9.05,-1.84,;10.28,.53,;11.64,-.17,;11.71,-1.7,;13.1,-2.42,;13.18,-3.93,;11.88,-4.75,;14.56,-4.65,;12.95,.66,;12.88,2.22,;14.32,-.05,;15.6,.8,;15.53,2.35,;16.81,3.17,;16.89,4.71,;18.37,5.11,;19.2,3.83,;18.25,2.62,;16.97,.09,;17.03,-1.42,;18.26,.93,;19.62,.24,;19.69,-1.29,;18.41,-2.11,;18.48,-3.67,;19.86,-4.37,;17.2,-4.49,;20.92,1.07,;20.86,2.63,;22.28,.38,;23.6,1.22,;23.52,2.77,;22.14,3.47,;22.06,5,;20.69,5.7,;20.61,7.23,;21.89,8.06,;19.23,7.96,;24.94,.51,;25.02,-1,;26.25,1.36,;27.61,.65,;28.92,1.49,;28.85,3.04,;30.27,.8,;27.69,-.86,;26.39,-1.69,;29.06,-1.58,;29.14,-3.11,;27.85,-3.95,;26.49,-3.24,;25.18,-4.09,;25.26,-5.63,;23.82,-3.39,;30.51,-3.83,;31.82,-2.99,;30.63,-5.37,;31.98,-6.09,;33.28,-5.26,;34.64,-5.96,;35.96,-5.11,;35.88,-3.56,;37.3,-5.82,;32.06,-7.62,;30.78,-8.44,;33.44,-8.34,;33.51,-9.85,;34.89,-10.57,;36.19,-9.72,;37.55,-10.43,;38.86,-9.59,;40.21,-10.28,;40.28,-11.81,;41.52,-9.45,;32.22,-10.69,;30.87,-9.98,;32.29,-12.24,;31.01,-13.06,;29.66,-12.36,;29.59,-10.83,;28.21,-10.13,;28.14,-8.6,;26.76,-7.88,;31.09,-14.6,;32.47,-15.32,;29.81,-15.44,;29.88,-16.99,;31.26,-17.7,;32.56,-16.86,;33.92,-17.57,;34.01,-19.08,;35.23,-16.72,;28.6,-17.82,;27.24,-17.11,;28.66,-19.37,;27.38,-20.19,;26.03,-19.5,;24.74,-20.32,;27.46,-21.74,;28.83,-22.45,;26.18,-22.57,;26.25,-24.12,;27.63,-24.84,;28.94,-23.99,;30.29,-24.68,;31.6,-23.85,;32.96,-24.55,;24.96,-24.94,;23.61,-24.25,;25.03,-26.5,;26.42,-27.2,;27.72,-26.37,;29.08,-27.07,;29.16,-28.6,;30.54,-29.3,;30.61,-30.83,;26.49,-28.73,;27.88,-29.43,;25.2,-29.55,;23.61,-29.09,;22.65,-30.46,;23.66,-31.8,;25.02,-31.05,;26.3,-31.93,;27.65,-31.18,;26.26,-33.47,;24.96,-34.52,;25.55,-36.09,;27.23,-36.01,;27.38,-34.46,;28.82,-33.9,;29.04,-32.38,;30.02,-34.86,;31.45,-34.3,;31.68,-32.79,;32.66,-35.27,;32.42,-36.78,;34.09,-34.71,;35.29,-35.67,;35.06,-37.19,;36.26,-38.15,;36.03,-39.68,;37.23,-40.63,;36.99,-42.16,;36.73,-35.11,;36.95,-33.58,;37.94,-36.05,;39.39,-35.51,;39.63,-34,;41.05,-33.44,;41.29,-31.91,;42.26,-34.39,;40.59,-36.48,;40.36,-37.99,;42.03,-35.92,;43.23,-36.88,;43,-38.4,;41.56,-38.96,;41.33,-40.49,;39.89,-41.05,;42.53,-41.45,;44.67,-36.32,;44.89,-34.81,;45.87,-37.29,;45.92,-38.96,;47.52,-39.44,;48.47,-38.06,;47.33,-37,;47.76,-35.51,;46.69,-34.42,;49.26,-35.15,;49.68,-33.67,;51.18,-33.31,;52.25,-34.4,;53.74,-34.04,;54.81,-35.13,;56.31,-34.77,;56.73,-33.28,;57.38,-35.87,;48.61,-32.56,;47.12,-32.91,;49.04,-31.09,)|
Show InChI InChI=1S/C143H237N47O42/c1-74(2)63-94(125(215)177-92(43-49-109(152)198)137(227)187-59-23-38-104(187)134(224)178-93(140(230)231)35-22-58-162-143(157)158)179-118(208)81(29-12-16-52-144)166-114(204)77(7)164-132(222)102-36-25-61-189(102)139(229)105-39-26-62-190(105)136(226)91(32-15-19-55-147)176-117(207)83(31-14-18-54-146)170-130(220)99(70-192)183-123(213)89(44-50-111(200)201)172-115(205)82(30-13-17-53-145)167-116(206)84(33-20-56-160-141(153)154)168-119(209)86(40-46-106(149)195)171-121(211)88(42-48-108(151)197)175-135(225)113(76(5)6)186-124(214)85(34-21-57-161-142(155)156)169-120(210)87(41-47-107(150)196)173-128(218)97(66-80-68-159-73-163-80)182-122(212)90(45-51-112(202)203)174-133(223)103-37-24-60-188(103)138(228)100(71-193)184-126(216)95(64-75(3)4)180-127(217)96(65-79-27-10-9-11-28-79)181-131(221)101(72-232-78(8)194)185-129(219)98(69-191)165-110(199)67-148/h9-11,27-28,68,73-77,81-105,113,191-193H,12-26,29-67,69-72,144-148H2,1-8H3,(H2,149,195)(H2,150,196)(H2,151,197)(H2,152,198)(H,159,163)(H,164,222)(H,165,199)(H,166,204)(H,167,206)(H,168,209)(H,169,210)(H,170,220)(H,171,211)(H,172,205)(H,173,218)(H,174,223)(H,175,225)(H,176,207)(H,177,215)(H,178,224)(H,179,208)(H,180,217)(H,181,221)(H,182,212)(H,183,213)(H,184,216)(H,185,219)(H,186,214)(H,200,201)(H,202,203)(H,230,231)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50267263
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CCCCCCN)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:8.16,45.45,54.56,86.88,97.99,122.124,142.144,157.159,166.168,189.194,113.115,67.68,203.207,wD:4.4,58.59,77.79,133.135,151.153,178.182,185.190,194.198,211.215,223.229,227.232,19.31,34.37,104.106,(6.39,-6.67,;5.09,-5.86,;5.14,-4.32,;3.74,-6.58,;2.43,-5.75,;1.06,-6.47,;1,-8.01,;2.31,-8.83,;-.35,-8.74,;-1.65,-7.92,;-1.6,-6.38,;-.25,-5.67,;-.2,-4.13,;-1.5,-3.33,;-2.86,-4.05,;-2.9,-5.57,;-.4,-10.28,;-1.75,-11,;-3.06,-10.2,;-1.8,-12.54,;-.49,-13.35,;.86,-12.62,;2.17,-13.42,;2.13,-14.96,;3.9,-12.59,;5.49,-13.68,;7.22,-12.84,;8.81,-13.93,;10.54,-13.1,;12.13,-14.18,;13.87,-13.35,;-3.15,-13.27,;-4.69,-13.27,;-5.46,-11.92,;-5.48,-14.6,;-4.71,-15.94,;-3.16,-15.95,;-7.02,-14.59,;-7.8,-15.92,;-7.03,-17.26,;-9.34,-15.92,;-10.12,-17.25,;2.49,-4.21,;1.18,-3.39,;3.84,-3.5,;4.03,-1.97,;2.81,-1.04,;3.01,.48,;5.45,-1.36,;6.67,-2.29,;5.72,.14,;4.67,1.44,;5.55,2.85,;7.17,2.42,;7.03,.9,;8.3,.07,;8.22,-1.47,;9.68,.76,;10.96,-.07,;10.88,-1.61,;12.19,-2.46,;12.11,-3.98,;10.73,-4.65,;13.4,-4.83,;12.35,.61,;12.44,2.17,;13.65,-.21,;15.03,.48,;15.11,2.01,;16.47,2.71,;16.7,4.22,;18.21,4.46,;18.92,3.14,;17.85,2.03,;16.31,-.36,;16.21,-1.88,;17.68,.34,;18.97,-.49,;18.88,-2.02,;17.52,-2.7,;17.43,-4.26,;18.73,-5.1,;16.07,-4.94,;20.34,.2,;20.44,1.76,;21.62,-.62,;23.02,.08,;23.1,1.63,;21.8,2.46,;21.88,3.98,;20.59,4.84,;20.67,6.36,;22.03,7.04,;19.37,7.24,;24.28,-.76,;24.2,-2.28,;25.67,-.06,;26.96,-.9,;28.34,-.2,;28.43,1.36,;29.61,-1.02,;26.88,-2.42,;25.5,-3.1,;28.16,-3.26,;28.08,-4.8,;26.72,-5.5,;25.44,-4.66,;24.05,-5.36,;23.97,-6.91,;22.76,-4.53,;29.38,-5.66,;30.76,-4.95,;29.34,-7.2,;30.6,-8.08,;31.98,-7.39,;33.26,-8.22,;34.65,-7.51,;34.73,-5.96,;35.92,-8.35,;30.52,-9.61,;29.16,-10.29,;31.81,-10.46,;31.74,-11.98,;33.03,-12.83,;34.41,-12.12,;35.69,-12.97,;37.08,-12.26,;38.35,-13.09,;38.27,-14.62,;39.74,-12.4,;30.36,-12.67,;29.09,-11.83,;30.28,-14.22,;28.92,-14.9,;27.64,-14.07,;27.73,-12.55,;26.43,-11.71,;26.51,-10.18,;25.22,-9.32,;28.83,-16.45,;30.13,-17.3,;27.47,-17.15,;27.39,-18.7,;28.69,-19.55,;30.07,-18.84,;31.34,-19.69,;31.29,-21.18,;32.74,-18.98,;26.03,-19.4,;24.75,-18.55,;25.93,-20.94,;24.57,-21.62,;23.3,-20.8,;21.94,-21.46,;24.49,-23.17,;25.79,-24.03,;23.13,-23.87,;23.05,-25.42,;24.34,-26.27,;25.73,-25.57,;27,-26.39,;28.39,-25.7,;29.67,-26.53,;21.68,-26.1,;20.4,-25.27,;21.59,-27.66,;22.89,-28.5,;24.28,-27.81,;25.56,-28.64,;25.48,-30.17,;26.77,-31.01,;26.69,-32.54,;22.8,-30.03,;24.12,-30.87,;21.44,-30.71,;19.91,-30.09,;18.81,-31.35,;19.68,-32.79,;21.11,-32.19,;22.29,-33.19,;23.71,-32.58,;22.09,-34.72,;20.69,-35.63,;21.11,-37.25,;22.8,-37.34,;23.1,-35.82,;24.59,-35.41,;24.97,-33.92,;25.69,-36.49,;27.17,-36.08,;27.56,-34.6,;28.27,-37.17,;27.88,-38.65,;29.75,-36.76,;30.84,-37.83,;30.46,-39.33,;31.56,-40.4,;31.17,-41.89,;32.27,-42.97,;31.87,-44.46,;32.33,-37.42,;32.71,-35.93,;33.45,-38.49,;34.94,-38.1,;35.33,-36.62,;36.81,-36.21,;37.2,-34.71,;37.91,-37.28,;36.04,-39.19,;35.65,-40.67,;37.52,-38.78,;38.62,-39.85,;38.23,-41.35,;36.74,-41.75,;36.36,-43.25,;34.87,-43.66,;37.46,-44.32,;40.11,-39.44,;40.49,-37.96,;41.2,-40.53,;41.08,-42.2,;42.62,-42.84,;43.71,-41.57,;42.69,-40.39,;43.27,-38.96,;42.32,-37.76,;44.79,-38.76,;45.37,-37.32,;46.89,-37.12,;47.84,-38.32,;49.37,-38.11,;50.32,-39.3,;51.84,-39.1,;52.42,-37.66,;52.79,-40.31,;44.42,-36.11,;42.89,-36.31,;44.99,-34.69,)|
Show InChI InChI=1S/C148H248N48O42/c1-79(2)68-98(130(221)183-96(47-53-113(158)203)142(233)193-64-26-41-108(193)139(230)184-97(145(236)237)38-25-63-168-148(163)164)185-123(214)85(32-14-19-57-150)172-119(210)82(7)170-137(228)106-39-28-66-195(106)144(235)109-42-29-67-196(109)141(232)95(35-17-22-60-153)182-122(213)87(34-16-21-59-152)176-135(226)103(75-198)189-128(219)93(48-54-115(205)206)178-120(211)86(33-15-20-58-151)173-121(212)88(36-23-61-166-146(159)160)174-124(215)90(44-50-110(155)200)177-126(217)92(46-52-112(157)202)181-140(231)118(81(5)6)192-129(220)89(37-24-62-167-147(161)162)175-125(216)91(45-51-111(156)201)179-133(224)101(71-84-73-165-78-169-84)188-127(218)94(49-55-116(207)208)180-138(229)107-40-27-65-194(107)143(234)104(76-199)190-131(222)99(69-80(3)4)186-132(223)100(70-83-30-11-10-12-31-83)187-136(227)105(77-238-117(209)43-13-8-9-18-56-149)191-134(225)102(74-197)171-114(204)72-154/h10-12,30-31,73,78-82,85-109,118,197-199H,8-9,13-29,32-72,74-77,149-154H2,1-7H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094060
PNG
(Ac-SS(heptyl carbonyl)FL-NH2 | CHEMBL136092)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C31H49N5O8/c1-5-6-7-8-12-15-27(39)44-19-26(36-30(42)25(18-37)33-21(4)38)31(43)35-24(17-22-13-10-9-11-14-22)29(41)34-23(28(32)40)16-20(2)3/h9-11,13-14,20,23-26,37H,5-8,12,15-19H2,1-4H3,(H2,32,40)(H,33,38)(H,34,41)(H,35,43)(H,36,42)/t23-,24-,25-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102239
PNG
(2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a


Bioorg Med Chem Lett 11: 1955-7 (2001)


BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50422317
PNG
(CHEMBL2310889)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:105.105,137.142,86.93,118.124,53.58,77.82,157.159,15.20,33.40,66.73,203.207,189.194,wD:178.182,223.229,185.190,62.62,112.116,11.11,126.136,96.102,166.168,44.49,24.29,211.215,143.148,194.198,227.232,(-17.34,14.48,;-16.05,13.64,;-16.13,12.1,;-14.84,11.26,;-14.92,9.73,;-13.63,8.89,;-13.71,7.35,;-12.42,6.51,;-11.05,7.21,;-12.5,4.97,;-11.21,4.13,;-11.29,2.6,;-10,1.76,;-8.62,2.46,;-8.54,3.99,;-7.33,1.62,;-7.41,.08,;-8.79,-.62,;-8.87,-2.16,;-10.24,-2.86,;-7.57,-3,;-5.96,2.32,;-4.67,1.48,;-4.75,-.06,;-3.3,2.18,;-3.22,3.71,;-1.84,4.41,;-1.76,5.95,;-.39,6.65,;-.31,8.19,;-2,1.34,;-.63,2.04,;-.55,3.57,;.66,1.2,;.58,-.34,;-.79,-1.04,;-.87,-2.58,;-2.25,-3.28,;-2.33,-4.81,;-3.7,-5.51,;-1.04,-5.65,;2.03,1.9,;3.32,1.06,;3.24,-.48,;4.69,1.76,;4.78,3.29,;6.15,3.99,;6.23,5.53,;4.94,6.37,;7.6,6.23,;5.99,.92,;7.36,1.62,;7.44,3.15,;8.65,.78,;8.57,-.76,;7.2,-1.46,;7.12,-3,;8.41,-3.84,;5.74,-3.7,;10.02,1.48,;11.31,.64,;11.23,-.9,;12.69,1.34,;13.98,.5,;15.35,1.2,;15.43,2.74,;16.64,.36,;16.56,-1.18,;15.19,-1.88,;15.11,-3.42,;13.74,-4.12,;13.65,-5.65,;12.28,-6.35,;14.95,-6.49,;18.01,1.06,;19.3,.22,;19.22,-1.32,;20.68,.92,;21.97,.08,;21.89,-1.46,;23.18,-2.3,;24.7,-2.54,;23.1,-3.84,;20.76,2.46,;22.13,3.15,;22.21,4.69,;23.42,2.32,;23.34,.78,;24.63,-.06,;26.07,.49,;27.04,-.71,;26.2,-2,;24.71,-1.6,;24.79,3.01,;26.08,2.18,;26.92,.88,;27.46,2.87,;27.54,4.41,;26.25,5.25,;26.33,6.79,;27.7,7.49,;25.04,7.63,;28.75,2.04,;30.12,2.74,;30.2,4.27,;31.41,1.9,;31.49,.36,;32.98,-.04,;33.82,1.25,;32.85,2.45,;33.25,3.94,;32.16,5.02,;34.74,4.33,;35.14,5.82,;34.05,6.91,;35.83,3.25,;37.31,3.64,;37.71,5.13,;38.4,2.55,;38,1.07,;36.52,.67,;36.12,-.82,;35.43,1.76,;39.89,2.95,;40.98,1.86,;40.58,.38,;42.47,2.26,;42.86,3.75,;41.78,4.84,;40.29,4.44,;39.2,5.53,;39.6,7.02,;41.09,7.42,;42.17,6.33,;43.55,1.17,;45.04,1.57,;45.44,3.06,;46.13,.48,;45.73,-1,;44.24,-1.4,;47.62,.88,;48.71,-.21,;48.31,-1.7,;50.19,.19,;50.59,1.68,;49.5,2.77,;51.28,-.9,;52.77,-.5,;53.17,.99,;53.86,-1.59,;55.35,-1.19,;12.77,2.87,;11.48,3.71,;14.14,3.57,;-12.66,1.9,;-12.74,.36,;-13.95,2.74,;-15.32,2.04,;-15.4,.5,;-16.78,-.2,;-16.86,-1.74,;-18.23,-2.44,;-18.31,-3.98,;-16.61,2.87,;-16.53,4.41,;-17.99,2.18,;-19.28,3.01,;-19.2,4.55,;-17.83,5.25,;-17.74,6.79,;-16.37,7.49,;-16.29,9.03,;-20.65,2.32,;-20.73,.78,;-21.94,3.15,;-22.02,4.69,;-23.51,5.09,;-24.35,3.8,;-23.38,2.6,;-23.78,1.12,;-22.69,.03,;-25.27,.72,;-26.46,1.69,;-27.75,.85,;-27.36,-.64,;-25.82,-.72,;-24.98,-2.01,;-23.44,-1.93,;-25.68,-3.38,;-24.84,-4.68,;-23.3,-4.6,;-25.54,-6.05,;-27.08,-6.13,;-24.7,-7.34,;-25.4,-8.71,;-26.94,-8.79,;-27.78,-7.5,;-29.31,-7.58,;-30.15,-6.29,;-31.69,-6.37,;-24.56,-10,;-23.02,-9.92,;-25.26,-11.38,;-24.42,-12.67,;-22.88,-12.59,;-22.05,-13.88,;-22.74,-15.25,;-20.51,-13.8,;-25.12,-14.04,;-26.66,-14.12,;-24.28,-15.33,;-24.98,-16.7,;-26.52,-16.78,;-27.22,-18.16,;-28.76,-18.24,;-29.46,-19.61,;-29.6,-16.94,;-24.14,-17.99,;-22.61,-17.91,;-24.84,-19.37,;-26.36,-19.61,;-26.6,-21.13,;-25.23,-21.83,;-24.14,-20.74,;-22.62,-20.98,;-21.65,-19.78,;-22.07,-22.42,;-20.55,-22.66,;-20,-24.1,;-20.97,-25.29,;-22.49,-25.05,;-23.46,-26.25,;-22.91,-27.69,;-23.87,-28.88,;-21.38,-27.93,;-19.58,-21.46,;-20.13,-20.02,;-18.06,-21.7,)|
Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(137(227)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164)191-129(219)94(50-56-116(205)206)178-121(211)87(35-18-22-59-151)173-122(212)89(38-25-62-166-147(159)160)174-125(215)91(46-52-111(155)200)177-127(217)93(48-54-113(157)202)181-141(231)119(82(6)7)192-130(220)90(39-26-63-167-148(161)162)175-126(216)92(47-53-112(156)201)179-134(224)102(72-85-74-165-79-169-85)188-128(218)95(51-57-117(207)208)180-139(229)108-42-29-66-194(108)144(234)105(77-199)190-132(222)100(70-81(4)5)186-133(223)101(71-84-32-14-13-15-33-84)187-136(226)104(76-198)189-135(225)103(75-197)171-115(204)73-154/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,227)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,225)(H,190,222)(H,191,219)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...


J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair
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