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Compile Data Set for Download or QSAR

Found 396 hits with Last Name = 'sullivan' and Initial = 'ka'   
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
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
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434318
PNG
(CHEMBL2386566)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H22ClN3OS/c1-25(2)21(27)19-12-18(19)14-4-6-15(7-5-14)20-22(26(3)13-24-20)28-17-10-8-16(23)9-11-17/h4-11,13,18-19H,12H2,1-3H3/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434329
PNG
(CHEMBL2386554)
Show SMILES Cn1cc(Sc2ccc(Cl)cc2)c(n1)-c1ccc2ccc(nc2c1)C(N)=O
Show InChI InChI=1S/C20H15ClN4OS/c1-25-11-18(27-15-7-5-14(21)6-8-15)19(24-25)13-3-2-12-4-9-16(20(22)26)23-17(12)10-13/h2-11H,1H3,(H2,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434329
PNG
(CHEMBL2386554)
Show SMILES Cn1cc(Sc2ccc(Cl)cc2)c(n1)-c1ccc2ccc(nc2c1)C(N)=O
Show InChI InChI=1S/C20H15ClN4OS/c1-25-11-18(27-15-7-5-14(21)6-8-15)19(24-25)13-3-2-12-4-9-16(20(22)26)23-17(12)10-13/h2-11H,1H3,(H2,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434316
PNG
(CHEMBL2386568)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H20ClN3OS/c1-23-20(26)18-11-17(18)13-3-5-14(6-4-13)19-21(25(2)12-24-19)27-16-9-7-15(22)8-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,23,26)/t17-,18+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434318
PNG
(CHEMBL2386566)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H22ClN3OS/c1-25(2)21(27)19-12-18(19)14-4-6-15(7-5-14)20-22(26(3)13-24-20)28-17-10-8-16(23)9-11-17/h4-11,13,18-19H,12H2,1-3H3/t18-,19+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434317
PNG
(CHEMBL2386567)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C20H18ClN3OS/c1-24-11-23-18(20(24)26-15-8-6-14(21)7-9-15)13-4-2-12(3-5-13)16-10-17(16)19(22)25/h2-9,11,16-17H,10H2,1H3,(H2,22,25)/t16-,17+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434313
PNG
(CHEMBL2386571)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434315
PNG
(CHEMBL2386569)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C22H21ClFN3OS/c1-27-13-26-20(22(27)29-17-8-6-16(23)7-9-17)15-4-2-14(3-5-15)18-12-19(18)21(28)25-11-10-24/h2-9,13,18-19H,10-12H2,1H3,(H,25,28)/t18-,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434314
PNG
(CHEMBL2386570)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H23ClFN3OS/c1-27(12-11-25)22(29)20-13-19(20)15-3-5-16(6-4-15)21-23(28(2)14-26-21)30-18-9-7-17(24)8-10-18/h3-10,14,19-20H,11-13H2,1-2H3/t19-,20+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434322
PNG
(CHEMBL2386562)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C20H19ClN4OS/c1-22-19(26)16-9-15(16)12-3-5-13(6-4-12)18-20(25(2)11-24-18)27-17-8-7-14(21)10-23-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,26)/t15-,16+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434314
PNG
(CHEMBL2386570)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H23ClFN3OS/c1-27(12-11-25)22(29)20-13-19(20)15-3-5-16(6-4-15)21-23(28(2)14-26-21)30-18-9-7-17(24)8-10-18/h3-10,14,19-20H,11-13H2,1-2H3/t19-,20+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434315
PNG
(CHEMBL2386569)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C22H21ClFN3OS/c1-27-13-26-20(22(27)29-17-8-6-16(23)7-9-17)15-4-2-14(3-5-15)18-12-19(18)21(28)25-11-10-24/h2-9,13,18-19H,10-12H2,1H3,(H,25,28)/t18-,19+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434316
PNG
(CHEMBL2386568)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H20ClN3OS/c1-23-20(26)18-11-17(18)13-3-5-14(6-4-13)19-21(25(2)12-24-19)27-16-9-7-15(22)8-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,23,26)/t17-,18+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434320
PNG
(CHEMBL2386564)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C21H20ClFN4OS/c1-27-12-26-19(21(27)29-18-7-6-15(22)11-25-18)14-4-2-13(3-5-14)16-10-17(16)20(28)24-9-8-23/h2-7,11-12,16-17H,8-10H2,1H3,(H,24,28)/t16-,17+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434317
PNG
(CHEMBL2386567)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C20H18ClN3OS/c1-24-11-23-18(20(24)26-15-8-6-14(21)7-9-15)13-4-2-12(3-5-13)16-10-17(16)19(22)25/h2-9,11,16-17H,10H2,1H3,(H2,22,25)/t16-,17+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434313
PNG
(CHEMBL2386571)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6811
PNG
(18,23-dimethyl-3,13,18-triazahexacyclo[14.7.0.0^{2...)
Show SMILES Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C22H15N3O2/c1-10-9-11-7-8-25(2)20(11)16-14(10)19-15(12-5-3-4-6-13(12)23-19)17-18(16)22(27)24-21(17)26/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 2n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434319
PNG
(CHEMBL2386565)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(10-9-24)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(2)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434319
PNG
(CHEMBL2386565)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(10-9-24)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(2)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434321
PNG
(CHEMBL2386563)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(CCF)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(2)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(10-9-24)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434323
PNG
(CHEMBL2386561)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C19H17ClN4OS/c1-24-10-23-17(19(24)26-16-7-6-13(20)9-22-16)12-4-2-11(3-5-12)14-8-15(14)18(21)25/h2-7,9-10,14-15H,8H2,1H3,(H2,21,25)/t14-,15+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6832
PNG
(3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCC(O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C30H30N4O4/c1-32-13-8-17-4-6-21-24(27(17)32)26-25(29(36)31-30(26)37)23-20-7-5-19(38-2)16-22(20)34(28(21)23)12-3-11-33-14-9-18(35)10-15-33/h4-8,13,16,18,35H,3,9-12,14-15H2,1-2H3,(H,31,36,37)
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n/an/a 4n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434320
PNG
(CHEMBL2386564)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C21H20ClFN4OS/c1-27-12-26-19(21(27)29-18-7-6-15(22)11-25-18)14-4-2-13(3-5-14)16-10-17(16)20(28)24-9-8-23/h2-7,11-12,16-17H,8-10H2,1H3,(H,24,28)/t16-,17+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434328
PNG
(CHEMBL2386555)
Show SMILES NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)C1CC1 |r|
Show InChI InChI=1S/C22H20ClN3OS/c23-15-5-9-17(10-6-15)28-20-12-26(16-7-8-16)25-21(20)14-3-1-13(2-4-14)18-11-19(18)22(24)27/h1-6,9-10,12,16,18-19H,7-8,11H2,(H2,24,27)/t18-,19+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434321
PNG
(CHEMBL2386563)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(CCF)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(2)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(10-9-24)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434328
PNG
(CHEMBL2386555)
Show SMILES NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)C1CC1 |r|
Show InChI InChI=1S/C22H20ClN3OS/c23-15-5-9-17(10-6-15)28-20-12-26(16-7-8-16)25-21(20)14-3-1-13(2-4-14)18-11-19(18)22(24)27/h1-6,9-10,12,16,18-19H,7-8,11H2,(H2,24,27)/t18-,19+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6838
PNG
(1-(2-{18-methyl-12,14-dioxo-3,13,18-triazahexacycl...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(CC6)C(N)=O)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C29H27N5O3/c1-33-11-7-16-5-6-19-21(26(16)33)23-22(28(36)32-29(23)37)20-18-4-2-3-15(24(18)31-25(19)20)8-12-34-13-9-17(10-14-34)27(30)35/h2-7,11,17,31H,8-10,12-14H2,1H3,(H2,30,35)(H,32,36,37)
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n/an/a 5n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6846
PNG
(5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)|
Show InChI InChI=1S/C29H28N4O3/c1-33-14-12-16-5-10-20-22(27(16)33)24-23(28(35)32-29(24)36)21-19-4-2-3-15(25(19)31-26(20)21)11-13-30-17-6-8-18(34)9-7-17/h2-5,10,12,14,17-18,30-31,34H,6-9,11,13H2,1H3,(H,32,35,36)/t17-,18-
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Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434322
PNG
(CHEMBL2386562)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C20H19ClN4OS/c1-22-19(26)16-9-15(16)12-3-5-13(6-4-12)18-20(25(2)11-24-18)27-17-8-7-14(21)10-23-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,26)/t15-,16+/m1/s1
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Departments of Medicinal Chemistry, Immunology, Pharmacology, Preclinical DMPK, Basic Pharmaceutical Sciences, and Process Research, Merck Research Laboratories , Rahway, New Jersey 07065, United Sta

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6803
PNG
(6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0...)
Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-10-3-5-13-16(20(10)25)18-17(21(26)24-22(18)27)15-12-6-4-11(28-2)9-14(12)23-19(13)15/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 6n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6815
PNG
(6-fluoro-18,23-dimethyl-3,13,18-triazahexacyclo[14...)
Show SMILES Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12
Show InChI InChI=1S/C22H14FN3O2/c1-9-7-10-5-6-26(2)20(10)16-14(9)19-15(17-18(16)22(28)25-21(17)27)12-4-3-11(23)8-13(12)24-19/h3-8,24H,1-2H3,(H,25,27,28)
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Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6800
PNG
(6-hydroxy-3,13,18-triazahexacyclo[14.7.0.0^{2,10}....)
Show SMILES Oc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3[nH]ccc3ccc12
Show InChI InChI=1S/C20H11N3O3/c24-9-2-4-10-12(7-9)22-18-11-3-1-8-5-6-21-17(8)14(11)16-15(13(10)18)19(25)23-20(16)26/h1-7,21-22,24H,(H,23,25,26)
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n/an/a 6n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6816
PNG
(6-methoxy-18,23-dimethyl-3,13,18-triazahexacyclo[1...)
Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3cc(C)c12
Show InChI InChI=1S/C23H17N3O3/c1-10-8-11-6-7-26(2)21(11)17-15(10)20-16(18-19(17)23(28)25-22(18)27)13-5-4-12(29-3)9-14(13)24-20/h4-9,24H,1-3H3,(H,25,27,28)
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n/an/a 7n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
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