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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50039045   
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


(Homo sapiens (Human))
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
Reactome pathway
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UniProtKB/SwissProt

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



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50378616
PNG
(GALANIN)
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)N[C@@H](CC(O)=O)C(=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](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r,wU:119.123,135.139,162.167,173.179,200.207,224.233,13.20,42.48,50.61,113.119,93.96,wD:2.2,127.131,145.150,156.161,183.190,191.198,216.224,4.4,8.8,23.23,34.40,66.69,71.76,77.84,85.92,97.112,(19.04,-36.25,;18.27,-34.92,;16.73,-34.92,;15.96,-36.25,;15.96,-33.59,;14.42,-33.59,;13.65,-34.92,;14.42,-36.25,;12.11,-34.92,;11.34,-36.25,;11.34,-33.59,;9.8,-33.59,;9.03,-34.92,;9.03,-32.26,;9.8,-30.92,;9.03,-29.59,;9.66,-28.19,;8.52,-27.16,;7.18,-27.92,;7.5,-29.43,;7.49,-32.26,;6.72,-33.59,;7.49,-34.92,;5.19,-33.67,;4.35,-34.96,;2.86,-34.56,;2.78,-33.03,;4.21,-32.48,;4.62,-30.99,;6.1,-30.59,;3.53,-29.9,;2.04,-30.3,;.95,-29.21,;-.53,-29.61,;1.35,-27.72,;.26,-26.63,;-1.23,-27.03,;-2.31,-25.94,;-1.62,-28.52,;2.83,-27.32,;3.24,-25.83,;2.15,-24.75,;4.72,-25.44,;5.81,-26.53,;5.41,-28.01,;3.93,-28.41,;6.5,-29.11,;5.24,-23.51,;3.83,-22.09,;2.34,-22.49,;4.34,-20.16,;5.83,-19.76,;6.92,-20.85,;8.4,-20.45,;9.5,-21.54,;9.09,-23.02,;10.19,-24.11,;7.61,-23.42,;6.52,-22.33,;2.93,-18.75,;1.44,-19.14,;1.04,-20.63,;.03,-17.72,;-1.46,-18.12,;-1.86,-19.61,;-.77,-20.7,;-3.35,-20.01,;-3.75,-21.5,;-4.43,-18.92,;-5.93,-19.32,;-6.32,-20.81,;-7.01,-18.23,;-8.5,-18.63,;-8.9,-20.12,;-6.61,-16.74,;-7.7,-15.65,;-9.19,-16.05,;-7.3,-14.17,;-8.39,-13.08,;-9.88,-13.47,;-10.97,-12.39,;-10.28,-14.97,;-5.82,-13.77,;-5.42,-12.28,;-6.51,-11.19,;-3.93,-11.88,;-3.53,-10.4,;-4.62,-9.31,;-6.11,-9.71,;-4.22,-7.82,;-2.84,-12.97,;-1.35,-12.57,;-.95,-11.09,;-.27,-13.66,;1.22,-13.27,;2.31,-14.35,;1.91,-15.84,;3.79,-13.96,;4.12,-12.45,;5.58,-11.97,;6.06,-10.51,;7.59,-10.51,;8.07,-11.97,;9.48,-12.6,;9.64,-14.13,;8.39,-15.04,;6.99,-14.41,;6.82,-12.88,;4.89,-15.04,;4.49,-16.53,;3,-16.93,;5.58,-17.62,;7.06,-17.22,;-.66,-15.15,;.43,-16.24,;-2.15,-15.55,;16.73,-32.26,;18.27,-32.26,;15.96,-30.92,;16.73,-29.59,;15.96,-28.26,;14.42,-28.26,;13.65,-29.59,;13.65,-26.93,;18.27,-29.59,;19.04,-28.26,;19.04,-30.92,;20.57,-30.92,;21.35,-32.26,;22.88,-32.26,;23.66,-33.59,;23.66,-30.92,;21.35,-29.59,;22.88,-29.59,;20.57,-28.26,;21.35,-26.93,;20.57,-25.59,;21.35,-24.26,;20.72,-22.86,;21.87,-21.82,;23.2,-22.59,;22.88,-24.09,;22.88,-26.93,;23.66,-28.26,;23.66,-25.59,;25.19,-25.59,;25.97,-26.93,;27.5,-26.93,;28.27,-25.59,;29.81,-25.59,;30.58,-24.26,;32.12,-24.26,;29.81,-22.92,;25.97,-24.26,;27.5,-24.26,;25.19,-22.92,;25.97,-21.59,;27.5,-21.59,;28.27,-20.26,;25.19,-20.26,;25.97,-18.92,;23.66,-20.26,;22.88,-18.92,;21.35,-18.92,;20.57,-17.59,;19.04,-17.59,;18.27,-16.26,;19.04,-14.93,;20.57,-14.93,;21.35,-16.26,;23.66,-17.59,;25.19,-17.59,;22.88,-16.26,;23.66,-14.93,;22.88,-13.59,;23.66,-12.26,;23.03,-10.86,;24.18,-9.82,;25.51,-10.59,;25.19,-12.1,;25.19,-14.93,;25.97,-16.26,;25.97,-13.59,;27.5,-13.59,;28.27,-14.93,;29.81,-14.93,;30.58,-16.26,;30.58,-13.59,;28.27,-12.26,;29.81,-12.26,;27.5,-10.93,;28.27,-9.6,;29.81,-9.6,;30.58,-10.93,;32.12,-10.93,;32.89,-12.26,;34.43,-12.26,;27.5,-8.26,;28.27,-6.92,;25.97,-8.26,;25.19,-6.92,;23.66,-6.92,;22.88,-5.59,;21.35,-5.59,;20.57,-4.26,;21.35,-2.93,;20.57,-1.59,;22.88,-2.93,;23.66,-4.26,;25.97,-5.59,;27.5,-5.59,;25.19,-4.26,;25.97,-2.93,;27.5,-2.93,;28.27,-4.26,;28.27,-1.59,;29.81,-1.59,;30.58,-2.93,;32.12,-2.93,;32.89,-4.26,;32.89,-1.59,;30.58,-.26,;32.12,-.26,;29.81,1.07,;30.58,2.4,;29.81,3.74,;32.12,2.4,;32.89,3.74,;32.89,1.07,)|
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)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1
Reactome pathway
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273369
PNG
(CHEMBL526003 | GWTLNSAGYLLGPQQFFGLM-CONH2 | Galani...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)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(N)=O |r|
Show InChI InChI=1S/C104H151N25O26S/c1-54(2)39-70(91(142)113-52-87(139)129-37-20-27-80(129)103(154)120-69(33-35-82(107)134)93(144)119-68(32-34-81(106)133)94(145)124-76(44-61-23-16-13-17-24-61)99(150)123-74(43-60-21-14-12-15-22-60)92(143)112-51-86(138)116-71(40-55(3)4)95(146)118-67(89(109)140)36-38-156-11)121-96(147)72(41-56(5)6)122-98(149)75(45-62-28-30-64(132)31-29-62)117-85(137)50-111-90(141)58(9)114-102(153)79(53-130)127-100(151)78(47-83(108)135)125-97(148)73(42-57(7)8)126-104(155)88(59(10)131)128-101(152)77(115-84(136)48-105)46-63-49-110-66-26-19-18-25-65(63)66/h12-19,21-26,28-31,49,54-59,67-80,88,110,130-132H,20,27,32-48,50-53,105H2,1-11H3,(H2,106,133)(H2,107,134)(H2,108,135)(H2,109,140)(H,111,141)(H,112,143)(H,113,142)(H,114,153)(H,115,136)(H,116,138)(H,117,137)(H,118,146)(H,119,144)(H,120,154)(H,121,147)(H,122,149)(H,123,150)(H,124,145)(H,125,148)(H,126,155)(H,127,151)(H,128,152)/t58-,59+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,88-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307256
PNG
(CHEMBL604373 | GWTLNSAGYLLGPrPKPQQwFwLL-CONH2 | Ga...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)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(N)=O |r,wU:181.202,169.182,155.166,150.159,134.151,118.130,107.113,96.110,80.91,64.74,4.4,wD:177.186,197.209,161.174,126.138,89.94,73.77,55.65,41.56,30.40,16.28,8.12,(-10.91,-15.15,;-10.14,-13.82,;-10.9,-12.49,;-8.59,-13.83,;-7.82,-12.49,;-6.29,-12.5,;-5.52,-13.84,;-6.29,-15.17,;-3.97,-13.84,;-3.2,-12.51,;-3.97,-11.17,;-3.19,-9.85,;-5.5,-11.18,;-3.21,-15.18,;-1.67,-15.19,;-.9,-13.86,;-.9,-16.52,;-1.68,-17.86,;-1.62,-19.4,;-.32,-20.25,;-.73,-21.73,;-2.27,-21.8,;-3.25,-22.99,;-4.76,-22.74,;-5.3,-21.3,;-4.34,-20.11,;-2.81,-20.36,;.63,-16.54,;1.4,-17.87,;.62,-19.21,;2.94,-17.88,;3.72,-16.55,;2.94,-15.21,;1.41,-15.2,;.65,-13.86,;1.42,-12.54,;2.96,-12.53,;3.73,-13.87,;3.7,-19.21,;5.25,-19.16,;5.97,-17.8,;6.06,-20.47,;5.33,-21.83,;3.79,-21.88,;2.85,-20.67,;1.4,-21.19,;1.46,-22.73,;.34,-23.8,;.71,-25.29,;2.19,-25.72,;3.3,-24.65,;2.93,-23.16,;7.6,-20.42,;8.41,-21.74,;7.69,-23.08,;9.94,-21.67,;10.68,-20.31,;9.86,-19.01,;10.59,-17.64,;12.12,-17.6,;9.77,-16.33,;10.76,-22.98,;12.31,-22.93,;13.03,-21.57,;13.11,-24.23,;12.39,-25.6,;10.86,-25.65,;10.13,-27.01,;10.94,-28.32,;8.58,-27.06,;14.66,-24.17,;15.38,-22.81,;14.55,-21.5,;16.91,-22.75,;17.56,-21.34,;19.18,-21.81,;19.22,-23.48,;17.65,-24.07,;17.55,-25.6,;16.18,-26.3,;18.85,-26.45,;18.77,-27.98,;17.39,-28.68,;17.29,-30.22,;15.92,-30.91,;15.83,-32.45,;20.22,-25.75,;21.51,-26.6,;21.42,-28.13,;22.89,-25.91,;22.89,-24.35,;24.56,-24.11,;25.29,-25.62,;24.1,-26.8,;24.2,-28.34,;22.93,-29.19,;25.62,-28.92,;26.9,-28.07,;28.28,-28.74,;29.56,-27.88,;30.94,-28.56,;32.23,-27.69,;32.11,-26.16,;33.6,-28.38,;25.82,-30.45,;27.24,-31.05,;28.52,-30.19,;27.44,-32.58,;26.15,-33.45,;26.89,-34.98,;28.55,-34.74,;28.85,-33.08,;30.19,-32.31,;30.19,-30.77,;31.52,-33.08,;31.52,-34.62,;32.86,-35.39,;34.2,-34.61,;32.86,-36.92,;31.52,-37.7,;30.19,-36.92,;28.86,-37.7,;30.19,-35.39,;34.2,-37.7,;34.2,-39.24,;32.86,-40.01,;35.54,-40.01,;36.87,-39.23,;36.87,-37.69,;38.2,-36.92,;35.53,-36.92,;35.54,-41.54,;36.87,-42.31,;36.87,-43.85,;38.2,-41.54,;39.53,-42.32,;39.53,-43.84,;38.22,-44.61,;38.21,-46.16,;39.56,-46.92,;39.56,-48.46,;40.89,-46.14,;40.87,-44.61,;38.2,-39.99,;39.52,-39.23,;40.86,-40,;39.52,-37.69,;40.86,-36.91,;40.86,-35.37,;39.52,-34.61,;42.19,-34.61,;43.53,-35.37,;42.19,-33.07,;43.53,-32.29,;43.53,-30.76,;44.86,-33.06,;44.86,-34.6,;46.19,-35.37,;46.19,-32.28,;47.52,-33.05,;47.52,-34.6,;48.86,-32.28,;48.86,-30.74,;47.52,-29.97,;46.19,-30.74,;47.52,-28.44,;50.19,-33.05,;51.54,-32.29,;51.54,-30.74,;52.86,-33.05,;52.86,-34.59,;51.54,-35.37,;51.54,-36.91,;50.19,-34.59,;54.2,-32.28,;55.53,-33.05,;55.53,-34.59,;56.86,-32.28,;58.19,-33.04,;59.53,-32.27,;59.53,-30.73,;60.86,-33.04,;60.86,-34.58,;59.53,-35.35,;58.13,-34.73,;57.11,-35.88,;57.88,-37.21,;57.4,-38.68,;58.43,-39.82,;59.95,-39.49,;60.41,-38.03,;59.37,-36.89,;62.19,-32.28,;63.53,-33.05,;63.53,-34.58,;64.86,-32.28,;66.19,-33.04,;56.86,-30.74,;58.19,-29.97,;55.53,-29.97,;-8.59,-11.16,;-10.13,-11.15,;-7.81,-9.83,)|
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-95(117(144)183)160-122(188)97(56-74(5)6)163-127(193)104(63-83-68-150-90-35-21-18-32-87(83)90)166-126(192)101(59-79-28-14-13-15-29-79)164-128(194)103(62-82-67-149-89-34-20-17-31-86(82)89)165-121(187)91(45-47-110(141)177)156-120(186)92(46-48-111(142)178)157-133(199)108-39-26-52-172(108)136(202)93(36-22-23-49-139)158-134(200)109-40-27-53-173(109)137(203)94(37-24-50-147-138(145)146)159-132(198)107-38-25-51-171(107)115(182)70-152-119(185)96(55-73(3)4)161-123(189)98(57-75(7)8)162-125(191)100(60-80-41-43-84(176)44-42-80)155-114(181)69-151-118(184)77(11)153-131(197)106(71-174)169-129(195)105(64-112(143)179)167-124(190)99(58-76(9)10)168-135(201)116(78(12)175)170-130(196)102(154-113(180)65-140)61-81-66-148-88-33-19-16-30-85(81)88/h13-21,28-35,41-44,66-68,72-78,91-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,177)(H2,142,178)(H2,143,179)(H2,144,183)(H,151,184)(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,160,188)(H,161,189)(H,162,191)(H,163,193)(H,164,194)(H,165,187)(H,166,192)(H,167,190)(H,168,201)(H,169,195)(H,170,196)(H4,145,146,147)/t77-,78+,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
Reactome pathway
KEGG

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



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307255
PNG
(CHEMBL592413 | GWTLNSAGYLLGPRHYINLITRQRY-CONH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)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)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:111.115,131.138,95.103,84.88,68.80,52.59,30.39,20.28,8.17,2.2,137.142,153.158,154.161,171.176,191.196,wD:115.131,103.111,89.95,60.67,41.42,4.4,145.150,160.165,180.185,(26.61,-58.6,;26.58,-57.06,;27.89,-56.27,;29.25,-57.01,;27.87,-54.73,;26.53,-53.98,;25.2,-54.77,;25.23,-56.32,;23.86,-54.03,;23.83,-52.49,;25.14,-51.7,;26.49,-52.44,;27.81,-51.64,;27.79,-50.1,;29.1,-49.31,;26.44,-49.36,;25.12,-50.16,;22.54,-54.82,;21.14,-54.17,;19.88,-55.03,;21.03,-52.63,;22.3,-51.76,;22.17,-50.22,;23.34,-49.22,;22.74,-47.8,;21.21,-47.92,;20.86,-49.41,;19.63,-51.97,;18.21,-52.57,;18.02,-54.1,;16.99,-51.63,;17.18,-50.12,;18.6,-49.51,;18.79,-47.98,;20.2,-47.38,;20.4,-45.85,;19.17,-44.92,;21.81,-45.25,;15.57,-52.23,;14.34,-51.31,;14.54,-49.78,;12.94,-51.9,;12.81,-53.46,;11.14,-53.58,;10.5,-52.03,;11.77,-50.93,;11.77,-49.38,;10.41,-48.63,;13.1,-48.63,;13.08,-47.08,;14.42,-46.3,;15.76,-47.07,;14.41,-44.75,;15.73,-43.97,;17.08,-44.75,;18.42,-43.97,;17.1,-46.29,;13.07,-43.99,;13.06,-42.45,;14.39,-41.68,;11.72,-41.69,;10.4,-42.46,;10.4,-44.01,;9.07,-44.77,;11.75,-44.77,;11.73,-40.14,;10.37,-39.39,;9.05,-40.16,;10.38,-37.84,;11.71,-37.07,;13.04,-37.83,;13.06,-39.37,;14.39,-40.13,;15.71,-39.36,;17.06,-40.12,;15.72,-37.82,;14.38,-37.06,;9.03,-37.07,;9.02,-35.54,;10.36,-34.77,;7.68,-34.77,;7.69,-33.24,;6.36,-32.47,;5.02,-33.24,;6.34,-30.93,;7.68,-30.15,;5.01,-30.16,;5,-28.63,;6.32,-27.86,;3.66,-27.86,;2.32,-28.64,;2.35,-30.18,;3.67,-26.33,;2.31,-25.56,;.99,-26.34,;2.3,-24.01,;3.64,-23.23,;4.98,-24,;4.99,-25.56,;6.3,-23.23,;.97,-23.26,;.97,-21.72,;2.29,-20.94,;-.37,-20.95,;-1.7,-21.73,;-1.69,-23.27,;-3.03,-24.05,;-.35,-24.03,;-.37,-19.42,;-1.72,-18.65,;-3.04,-19.43,;-1.72,-17.11,;-3.07,-16.34,;-3.06,-14.81,;-1.75,-14.03,;-4.41,-14.04,;-5.73,-14.82,;-5.73,-16.36,;-4.47,-17.26,;-4.95,-18.72,;-6.5,-18.73,;-7.52,-19.88,;-9.02,-19.57,;-9.5,-18.1,;-8.48,-16.95,;-6.96,-17.27,;-4.41,-12.5,;-5.76,-11.74,;-7.08,-12.51,;-5.76,-10.2,;-7.11,-9.43,;-.4,-16.33,;-.41,-14.79,;.94,-17.09,;29.19,-53.93,;29.17,-52.39,;30.54,-54.67,;31.86,-53.88,;31.83,-52.34,;33.15,-51.55,;34.49,-52.29,;33.13,-50.01,;33.21,-54.62,;33.24,-56.17,;34.53,-53.83,;35.88,-54.58,;35.9,-56.11,;37.25,-56.86,;37.28,-58.4,;38.57,-56.06,;37.2,-53.78,;37.17,-52.24,;38.54,-54.52,;39.87,-53.73,;39.83,-52.18,;38.48,-51.44,;41.15,-51.4,;41.21,-54.47,;41.24,-56.01,;42.53,-53.68,;43.87,-54.42,;43.9,-55.97,;45.25,-56.71,;45.28,-58.25,;46.63,-58.99,;46.66,-60.53,;45.34,-61.32,;48.01,-61.28,;45.2,-53.63,;45.17,-52.08,;46.55,-54.37,;47.86,-53.57,;47.84,-52.03,;49.16,-51.24,;49.13,-49.7,;47.77,-48.95,;50.45,-48.91,;49.22,-54.32,;49.24,-55.86,;50.53,-53.52,;51.88,-54.27,;51.91,-55.81,;53.26,-56.56,;53.28,-58.09,;54.63,-58.84,;54.67,-60.38,;53.34,-61.18,;56.01,-61.12,;53.21,-53.48,;53.17,-51.93,;54.55,-54.22,;55.87,-53.42,;55.84,-51.88,;57.15,-51.09,;58.51,-51.83,;59.82,-51.04,;59.79,-49.5,;61.11,-48.71,;58.45,-48.76,;57.13,-49.55,;57.21,-54.17,;58.53,-53.38,;57.25,-55.7,)|
Show InChI InChI=1S/C130H198N40O33/c1-14-67(10)104(125(201)165-95(55-100(134)179)118(194)160-89(48-66(8)9)120(196)168-105(69(12)172)126(202)156-83(25-19-43-145-130(140)141)110(186)154-84(39-40-98(132)177)113(189)153-81(23-17-41-143-128(136)137)111(187)157-85(107(135)183)49-71-27-33-76(174)34-28-71)167-121(197)91(51-73-31-37-78(176)38-32-73)161-117(193)93(53-75-58-142-62-149-75)162-112(188)82(24-18-42-144-129(138)139)155-124(200)97-26-20-44-170(97)103(182)60-148-109(185)86(45-63(2)3)158-114(190)87(46-64(4)5)159-116(192)90(50-72-29-35-77(175)36-30-72)152-102(181)59-147-108(184)68(11)150-123(199)96(61-171)166-119(195)94(54-99(133)178)163-115(191)88(47-65(6)7)164-127(203)106(70(13)173)169-122(198)92(151-101(180)56-131)52-74-57-146-80-22-16-15-21-79(74)80/h15-16,21-22,27-38,57-58,62-70,81-97,104-106,146,171-176H,14,17-20,23-26,39-56,59-61,131H2,1-13H3,(H2,132,177)(H2,133,178)(H2,134,179)(H2,135,183)(H,142,149)(H,147,184)(H,148,185)(H,150,199)(H,151,180)(H,152,181)(H,153,189)(H,154,186)(H,155,200)(H,156,202)(H,157,187)(H,158,190)(H,159,192)(H,160,194)(H,161,193)(H,162,188)(H,163,191)(H,164,203)(H,165,201)(H,166,195)(H,167,197)(H,168,196)(H,169,198)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t67-,68-,69+,70+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,104-,105-,106-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307256
PNG
(CHEMBL604373 | GWTLNSAGYLLGPrPKPQQwFwLL-CONH2 | Ga...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)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(N)=O |r,wU:181.202,169.182,155.166,150.159,134.151,118.130,107.113,96.110,80.91,64.74,4.4,wD:177.186,197.209,161.174,126.138,89.94,73.77,55.65,41.56,30.40,16.28,8.12,(-10.91,-15.15,;-10.14,-13.82,;-10.9,-12.49,;-8.59,-13.83,;-7.82,-12.49,;-6.29,-12.5,;-5.52,-13.84,;-6.29,-15.17,;-3.97,-13.84,;-3.2,-12.51,;-3.97,-11.17,;-3.19,-9.85,;-5.5,-11.18,;-3.21,-15.18,;-1.67,-15.19,;-.9,-13.86,;-.9,-16.52,;-1.68,-17.86,;-1.62,-19.4,;-.32,-20.25,;-.73,-21.73,;-2.27,-21.8,;-3.25,-22.99,;-4.76,-22.74,;-5.3,-21.3,;-4.34,-20.11,;-2.81,-20.36,;.63,-16.54,;1.4,-17.87,;.62,-19.21,;2.94,-17.88,;3.72,-16.55,;2.94,-15.21,;1.41,-15.2,;.65,-13.86,;1.42,-12.54,;2.96,-12.53,;3.73,-13.87,;3.7,-19.21,;5.25,-19.16,;5.97,-17.8,;6.06,-20.47,;5.33,-21.83,;3.79,-21.88,;2.85,-20.67,;1.4,-21.19,;1.46,-22.73,;.34,-23.8,;.71,-25.29,;2.19,-25.72,;3.3,-24.65,;2.93,-23.16,;7.6,-20.42,;8.41,-21.74,;7.69,-23.08,;9.94,-21.67,;10.68,-20.31,;9.86,-19.01,;10.59,-17.64,;12.12,-17.6,;9.77,-16.33,;10.76,-22.98,;12.31,-22.93,;13.03,-21.57,;13.11,-24.23,;12.39,-25.6,;10.86,-25.65,;10.13,-27.01,;10.94,-28.32,;8.58,-27.06,;14.66,-24.17,;15.38,-22.81,;14.55,-21.5,;16.91,-22.75,;17.56,-21.34,;19.18,-21.81,;19.22,-23.48,;17.65,-24.07,;17.55,-25.6,;16.18,-26.3,;18.85,-26.45,;18.77,-27.98,;17.39,-28.68,;17.29,-30.22,;15.92,-30.91,;15.83,-32.45,;20.22,-25.75,;21.51,-26.6,;21.42,-28.13,;22.89,-25.91,;22.89,-24.35,;24.56,-24.11,;25.29,-25.62,;24.1,-26.8,;24.2,-28.34,;22.93,-29.19,;25.62,-28.92,;26.9,-28.07,;28.28,-28.74,;29.56,-27.88,;30.94,-28.56,;32.23,-27.69,;32.11,-26.16,;33.6,-28.38,;25.82,-30.45,;27.24,-31.05,;28.52,-30.19,;27.44,-32.58,;26.15,-33.45,;26.89,-34.98,;28.55,-34.74,;28.85,-33.08,;30.19,-32.31,;30.19,-30.77,;31.52,-33.08,;31.52,-34.62,;32.86,-35.39,;34.2,-34.61,;32.86,-36.92,;31.52,-37.7,;30.19,-36.92,;28.86,-37.7,;30.19,-35.39,;34.2,-37.7,;34.2,-39.24,;32.86,-40.01,;35.54,-40.01,;36.87,-39.23,;36.87,-37.69,;38.2,-36.92,;35.53,-36.92,;35.54,-41.54,;36.87,-42.31,;36.87,-43.85,;38.2,-41.54,;39.53,-42.32,;39.53,-43.84,;38.22,-44.61,;38.21,-46.16,;39.56,-46.92,;39.56,-48.46,;40.89,-46.14,;40.87,-44.61,;38.2,-39.99,;39.52,-39.23,;40.86,-40,;39.52,-37.69,;40.86,-36.91,;40.86,-35.37,;39.52,-34.61,;42.19,-34.61,;43.53,-35.37,;42.19,-33.07,;43.53,-32.29,;43.53,-30.76,;44.86,-33.06,;44.86,-34.6,;46.19,-35.37,;46.19,-32.28,;47.52,-33.05,;47.52,-34.6,;48.86,-32.28,;48.86,-30.74,;47.52,-29.97,;46.19,-30.74,;47.52,-28.44,;50.19,-33.05,;51.54,-32.29,;51.54,-30.74,;52.86,-33.05,;52.86,-34.59,;51.54,-35.37,;51.54,-36.91,;50.19,-34.59,;54.2,-32.28,;55.53,-33.05,;55.53,-34.59,;56.86,-32.28,;58.19,-33.04,;59.53,-32.27,;59.53,-30.73,;60.86,-33.04,;60.86,-34.58,;59.53,-35.35,;58.13,-34.73,;57.11,-35.88,;57.88,-37.21,;57.4,-38.68,;58.43,-39.82,;59.95,-39.49,;60.41,-38.03,;59.37,-36.89,;62.19,-32.28,;63.53,-33.05,;63.53,-34.58,;64.86,-32.28,;66.19,-33.04,;56.86,-30.74,;58.19,-29.97,;55.53,-29.97,;-8.59,-11.16,;-10.13,-11.15,;-7.81,-9.83,)|
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-95(117(144)183)160-122(188)97(56-74(5)6)163-127(193)104(63-83-68-150-90-35-21-18-32-87(83)90)166-126(192)101(59-79-28-14-13-15-29-79)164-128(194)103(62-82-67-149-89-34-20-17-31-86(82)89)165-121(187)91(45-47-110(141)177)156-120(186)92(46-48-111(142)178)157-133(199)108-39-26-52-172(108)136(202)93(36-22-23-49-139)158-134(200)109-40-27-53-173(109)137(203)94(37-24-50-147-138(145)146)159-132(198)107-38-25-51-171(107)115(182)70-152-119(185)96(55-73(3)4)161-123(189)98(57-75(7)8)162-125(191)100(60-80-41-43-84(176)44-42-80)155-114(181)69-151-118(184)77(11)153-131(197)106(71-174)169-129(195)105(64-112(143)179)167-124(190)99(58-76(9)10)168-135(201)116(78(12)175)170-130(196)102(154-113(180)65-140)61-81-66-148-88-33-19-16-30-85(81)88/h13-21,28-35,41-44,66-68,72-78,91-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,177)(H2,142,178)(H2,143,179)(H2,144,183)(H,151,184)(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,160,188)(H,161,189)(H,162,191)(H,163,193)(H,164,194)(H,165,187)(H,166,192)(H,167,190)(H,168,201)(H,169,195)(H,170,196)(H4,145,146,147)/t77-,78+,91-,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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PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50378616
PNG
(GALANIN)
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)N[C@@H](CC(O)=O)C(=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](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r,wU:119.123,135.139,162.167,173.179,200.207,224.233,13.20,42.48,50.61,113.119,93.96,wD:2.2,127.131,145.150,156.161,183.190,191.198,216.224,4.4,8.8,23.23,34.40,66.69,71.76,77.84,85.92,97.112,(19.04,-36.25,;18.27,-34.92,;16.73,-34.92,;15.96,-36.25,;15.96,-33.59,;14.42,-33.59,;13.65,-34.92,;14.42,-36.25,;12.11,-34.92,;11.34,-36.25,;11.34,-33.59,;9.8,-33.59,;9.03,-34.92,;9.03,-32.26,;9.8,-30.92,;9.03,-29.59,;9.66,-28.19,;8.52,-27.16,;7.18,-27.92,;7.5,-29.43,;7.49,-32.26,;6.72,-33.59,;7.49,-34.92,;5.19,-33.67,;4.35,-34.96,;2.86,-34.56,;2.78,-33.03,;4.21,-32.48,;4.62,-30.99,;6.1,-30.59,;3.53,-29.9,;2.04,-30.3,;.95,-29.21,;-.53,-29.61,;1.35,-27.72,;.26,-26.63,;-1.23,-27.03,;-2.31,-25.94,;-1.62,-28.52,;2.83,-27.32,;3.24,-25.83,;2.15,-24.75,;4.72,-25.44,;5.81,-26.53,;5.41,-28.01,;3.93,-28.41,;6.5,-29.11,;5.24,-23.51,;3.83,-22.09,;2.34,-22.49,;4.34,-20.16,;5.83,-19.76,;6.92,-20.85,;8.4,-20.45,;9.5,-21.54,;9.09,-23.02,;10.19,-24.11,;7.61,-23.42,;6.52,-22.33,;2.93,-18.75,;1.44,-19.14,;1.04,-20.63,;.03,-17.72,;-1.46,-18.12,;-1.86,-19.61,;-.77,-20.7,;-3.35,-20.01,;-3.75,-21.5,;-4.43,-18.92,;-5.93,-19.32,;-6.32,-20.81,;-7.01,-18.23,;-8.5,-18.63,;-8.9,-20.12,;-6.61,-16.74,;-7.7,-15.65,;-9.19,-16.05,;-7.3,-14.17,;-8.39,-13.08,;-9.88,-13.47,;-10.97,-12.39,;-10.28,-14.97,;-5.82,-13.77,;-5.42,-12.28,;-6.51,-11.19,;-3.93,-11.88,;-3.53,-10.4,;-4.62,-9.31,;-6.11,-9.71,;-4.22,-7.82,;-2.84,-12.97,;-1.35,-12.57,;-.95,-11.09,;-.27,-13.66,;1.22,-13.27,;2.31,-14.35,;1.91,-15.84,;3.79,-13.96,;4.12,-12.45,;5.58,-11.97,;6.06,-10.51,;7.59,-10.51,;8.07,-11.97,;9.48,-12.6,;9.64,-14.13,;8.39,-15.04,;6.99,-14.41,;6.82,-12.88,;4.89,-15.04,;4.49,-16.53,;3,-16.93,;5.58,-17.62,;7.06,-17.22,;-.66,-15.15,;.43,-16.24,;-2.15,-15.55,;16.73,-32.26,;18.27,-32.26,;15.96,-30.92,;16.73,-29.59,;15.96,-28.26,;14.42,-28.26,;13.65,-29.59,;13.65,-26.93,;18.27,-29.59,;19.04,-28.26,;19.04,-30.92,;20.57,-30.92,;21.35,-32.26,;22.88,-32.26,;23.66,-33.59,;23.66,-30.92,;21.35,-29.59,;22.88,-29.59,;20.57,-28.26,;21.35,-26.93,;20.57,-25.59,;21.35,-24.26,;20.72,-22.86,;21.87,-21.82,;23.2,-22.59,;22.88,-24.09,;22.88,-26.93,;23.66,-28.26,;23.66,-25.59,;25.19,-25.59,;25.97,-26.93,;27.5,-26.93,;28.27,-25.59,;29.81,-25.59,;30.58,-24.26,;32.12,-24.26,;29.81,-22.92,;25.97,-24.26,;27.5,-24.26,;25.19,-22.92,;25.97,-21.59,;27.5,-21.59,;28.27,-20.26,;25.19,-20.26,;25.97,-18.92,;23.66,-20.26,;22.88,-18.92,;21.35,-18.92,;20.57,-17.59,;19.04,-17.59,;18.27,-16.26,;19.04,-14.93,;20.57,-14.93,;21.35,-16.26,;23.66,-17.59,;25.19,-17.59,;22.88,-16.26,;23.66,-14.93,;22.88,-13.59,;23.66,-12.26,;23.03,-10.86,;24.18,-9.82,;25.51,-10.59,;25.19,-12.1,;25.19,-14.93,;25.97,-16.26,;25.97,-13.59,;27.5,-13.59,;28.27,-14.93,;29.81,-14.93,;30.58,-16.26,;30.58,-13.59,;28.27,-12.26,;29.81,-12.26,;27.5,-10.93,;28.27,-9.6,;29.81,-9.6,;30.58,-10.93,;32.12,-10.93,;32.89,-12.26,;34.43,-12.26,;27.5,-8.26,;28.27,-6.92,;25.97,-8.26,;25.19,-6.92,;23.66,-6.92,;22.88,-5.59,;21.35,-5.59,;20.57,-4.26,;21.35,-2.93,;20.57,-1.59,;22.88,-2.93,;23.66,-4.26,;25.97,-5.59,;27.5,-5.59,;25.19,-4.26,;25.97,-2.93,;27.5,-2.93,;28.27,-4.26,;28.27,-1.59,;29.81,-1.59,;30.58,-2.93,;32.12,-2.93,;32.89,-4.26,;32.89,-1.59,;30.58,-.26,;32.12,-.26,;29.81,1.07,;30.58,2.4,;29.81,3.74,;32.12,2.4,;32.89,3.74,;32.89,1.07,)|
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)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1
Reactome pathway
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PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273369
PNG
(CHEMBL526003 | GWTLNSAGYLLGPQQFFGLM-CONH2 | Galani...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)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(N)=O |r|
Show InChI InChI=1S/C104H151N25O26S/c1-54(2)39-70(91(142)113-52-87(139)129-37-20-27-80(129)103(154)120-69(33-35-82(107)134)93(144)119-68(32-34-81(106)133)94(145)124-76(44-61-23-16-13-17-24-61)99(150)123-74(43-60-21-14-12-15-22-60)92(143)112-51-86(138)116-71(40-55(3)4)95(146)118-67(89(109)140)36-38-156-11)121-96(147)72(41-56(5)6)122-98(149)75(45-62-28-30-64(132)31-29-62)117-85(137)50-111-90(141)58(9)114-102(153)79(53-130)127-100(151)78(47-83(108)135)125-97(148)73(42-57(7)8)126-104(155)88(59(10)131)128-101(152)77(115-84(136)48-105)46-63-49-110-66-26-19-18-25-65(63)66/h12-19,21-26,28-31,49,54-59,67-80,88,110,130-132H,20,27,32-48,50-53,105H2,1-11H3,(H2,106,133)(H2,107,134)(H2,108,135)(H2,109,140)(H,111,141)(H,112,143)(H,113,142)(H,114,153)(H,115,136)(H,116,138)(H,117,137)(H,118,146)(H,119,144)(H,120,154)(H,121,147)(H,122,149)(H,123,150)(H,124,145)(H,125,148)(H,126,155)(H,127,151)(H,128,152)/t58-,59+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,88-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307255
PNG
(CHEMBL592413 | GWTLNSAGYLLGPRHYINLITRQRY-CONH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)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)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:111.115,131.138,95.103,84.88,68.80,52.59,30.39,20.28,8.17,2.2,137.142,153.158,154.161,171.176,191.196,wD:115.131,103.111,89.95,60.67,41.42,4.4,145.150,160.165,180.185,(26.61,-58.6,;26.58,-57.06,;27.89,-56.27,;29.25,-57.01,;27.87,-54.73,;26.53,-53.98,;25.2,-54.77,;25.23,-56.32,;23.86,-54.03,;23.83,-52.49,;25.14,-51.7,;26.49,-52.44,;27.81,-51.64,;27.79,-50.1,;29.1,-49.31,;26.44,-49.36,;25.12,-50.16,;22.54,-54.82,;21.14,-54.17,;19.88,-55.03,;21.03,-52.63,;22.3,-51.76,;22.17,-50.22,;23.34,-49.22,;22.74,-47.8,;21.21,-47.92,;20.86,-49.41,;19.63,-51.97,;18.21,-52.57,;18.02,-54.1,;16.99,-51.63,;17.18,-50.12,;18.6,-49.51,;18.79,-47.98,;20.2,-47.38,;20.4,-45.85,;19.17,-44.92,;21.81,-45.25,;15.57,-52.23,;14.34,-51.31,;14.54,-49.78,;12.94,-51.9,;12.81,-53.46,;11.14,-53.58,;10.5,-52.03,;11.77,-50.93,;11.77,-49.38,;10.41,-48.63,;13.1,-48.63,;13.08,-47.08,;14.42,-46.3,;15.76,-47.07,;14.41,-44.75,;15.73,-43.97,;17.08,-44.75,;18.42,-43.97,;17.1,-46.29,;13.07,-43.99,;13.06,-42.45,;14.39,-41.68,;11.72,-41.69,;10.4,-42.46,;10.4,-44.01,;9.07,-44.77,;11.75,-44.77,;11.73,-40.14,;10.37,-39.39,;9.05,-40.16,;10.38,-37.84,;11.71,-37.07,;13.04,-37.83,;13.06,-39.37,;14.39,-40.13,;15.71,-39.36,;17.06,-40.12,;15.72,-37.82,;14.38,-37.06,;9.03,-37.07,;9.02,-35.54,;10.36,-34.77,;7.68,-34.77,;7.69,-33.24,;6.36,-32.47,;5.02,-33.24,;6.34,-30.93,;7.68,-30.15,;5.01,-30.16,;5,-28.63,;6.32,-27.86,;3.66,-27.86,;2.32,-28.64,;2.35,-30.18,;3.67,-26.33,;2.31,-25.56,;.99,-26.34,;2.3,-24.01,;3.64,-23.23,;4.98,-24,;4.99,-25.56,;6.3,-23.23,;.97,-23.26,;.97,-21.72,;2.29,-20.94,;-.37,-20.95,;-1.7,-21.73,;-1.69,-23.27,;-3.03,-24.05,;-.35,-24.03,;-.37,-19.42,;-1.72,-18.65,;-3.04,-19.43,;-1.72,-17.11,;-3.07,-16.34,;-3.06,-14.81,;-1.75,-14.03,;-4.41,-14.04,;-5.73,-14.82,;-5.73,-16.36,;-4.47,-17.26,;-4.95,-18.72,;-6.5,-18.73,;-7.52,-19.88,;-9.02,-19.57,;-9.5,-18.1,;-8.48,-16.95,;-6.96,-17.27,;-4.41,-12.5,;-5.76,-11.74,;-7.08,-12.51,;-5.76,-10.2,;-7.11,-9.43,;-.4,-16.33,;-.41,-14.79,;.94,-17.09,;29.19,-53.93,;29.17,-52.39,;30.54,-54.67,;31.86,-53.88,;31.83,-52.34,;33.15,-51.55,;34.49,-52.29,;33.13,-50.01,;33.21,-54.62,;33.24,-56.17,;34.53,-53.83,;35.88,-54.58,;35.9,-56.11,;37.25,-56.86,;37.28,-58.4,;38.57,-56.06,;37.2,-53.78,;37.17,-52.24,;38.54,-54.52,;39.87,-53.73,;39.83,-52.18,;38.48,-51.44,;41.15,-51.4,;41.21,-54.47,;41.24,-56.01,;42.53,-53.68,;43.87,-54.42,;43.9,-55.97,;45.25,-56.71,;45.28,-58.25,;46.63,-58.99,;46.66,-60.53,;45.34,-61.32,;48.01,-61.28,;45.2,-53.63,;45.17,-52.08,;46.55,-54.37,;47.86,-53.57,;47.84,-52.03,;49.16,-51.24,;49.13,-49.7,;47.77,-48.95,;50.45,-48.91,;49.22,-54.32,;49.24,-55.86,;50.53,-53.52,;51.88,-54.27,;51.91,-55.81,;53.26,-56.56,;53.28,-58.09,;54.63,-58.84,;54.67,-60.38,;53.34,-61.18,;56.01,-61.12,;53.21,-53.48,;53.17,-51.93,;54.55,-54.22,;55.87,-53.42,;55.84,-51.88,;57.15,-51.09,;58.51,-51.83,;59.82,-51.04,;59.79,-49.5,;61.11,-48.71,;58.45,-48.76,;57.13,-49.55,;57.21,-54.17,;58.53,-53.38,;57.25,-55.7,)|
Show InChI InChI=1S/C130H198N40O33/c1-14-67(10)104(125(201)165-95(55-100(134)179)118(194)160-89(48-66(8)9)120(196)168-105(69(12)172)126(202)156-83(25-19-43-145-130(140)141)110(186)154-84(39-40-98(132)177)113(189)153-81(23-17-41-143-128(136)137)111(187)157-85(107(135)183)49-71-27-33-76(174)34-28-71)167-121(197)91(51-73-31-37-78(176)38-32-73)161-117(193)93(53-75-58-142-62-149-75)162-112(188)82(24-18-42-144-129(138)139)155-124(200)97-26-20-44-170(97)103(182)60-148-109(185)86(45-63(2)3)158-114(190)87(46-64(4)5)159-116(192)90(50-72-29-35-77(175)36-30-72)152-102(181)59-147-108(184)68(11)150-123(199)96(61-171)166-119(195)94(54-99(133)178)163-115(191)88(47-65(6)7)164-127(203)106(70(13)173)169-122(198)92(151-101(180)56-131)52-74-57-146-80-22-16-15-21-79(74)80/h15-16,21-22,27-38,57-58,62-70,81-97,104-106,146,171-176H,14,17-20,23-26,39-56,59-61,131H2,1-13H3,(H2,132,177)(H2,133,178)(H2,134,179)(H2,135,183)(H,142,149)(H,147,184)(H,148,185)(H,150,199)(H,151,180)(H,152,181)(H,153,189)(H,154,186)(H,155,200)(H,156,202)(H,157,187)(H,158,190)(H,159,192)(H,160,194)(H,161,193)(H,162,188)(H,163,191)(H,164,203)(H,165,201)(H,166,195)(H,167,197)(H,168,196)(H,169,198)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t67-,68-,69+,70+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,104-,105-,106-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
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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1.5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307258
PNG
(CHEMBL578317 | [N-Ac,des-Sar]Gal-B2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C103H171N23O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)109-50-33-29-40-75(93(138)116-73(90(108)135)37-26-30-47-104)118-94(139)74(38-27-31-48-105)117-95(140)76(39-28-32-49-106)119-102(147)84-41-34-51-126(84)88(134)60-112-92(137)77(52-62(2)3)120-96(141)78(53-63(4)5)121-98(143)80(55-68-43-45-70(130)46-44-68)115-87(133)59-111-91(136)65(8)113-101(146)83(61-127)124-99(144)82(57-85(107)131)122-97(142)79(54-64(6)7)123-103(148)89(66(9)128)125-100(145)81(114-67(10)129)56-69-58-110-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,62-66,73-84,89,110,127-128,130H,11-23,26-34,37-42,47-57,59-61,104-106H2,1-10H3,(H2,107,131)(H2,108,135)(H,109,132)(H,111,136)(H,112,137)(H,113,146)(H,114,129)(H,115,133)(H,116,138)(H,117,140)(H,118,139)(H,119,147)(H,120,141)(H,121,143)(H,122,142)(H,123,148)(H,124,144)(H,125,145)/t65-,66+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307252
PNG
(CHEMBL578710 | WTLNSAGYLL-CONH2)
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(N)=O |r|
Show InChI InChI=1S/C54H81N13O14/c1-26(2)17-37(46(57)73)62-49(76)38(18-27(3)4)63-51(78)40(20-31-13-15-33(70)16-14-31)61-44(72)24-59-47(74)29(7)60-53(80)42(25-68)66-52(79)41(22-43(56)71)64-50(77)39(19-28(5)6)65-54(81)45(30(8)69)67-48(75)35(55)21-32-23-58-36-12-10-9-11-34(32)36/h9-16,23,26-30,35,37-42,45,58,68-70H,17-22,24-25,55H2,1-8H3,(H2,56,71)(H2,57,73)(H,59,74)(H,60,80)(H,61,72)(H,62,76)(H,63,78)(H,64,77)(H,65,81)(H,66,79)(H,67,75)/t29-,30+,35-,37-,38-,39-,40-,41-,42-,45-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
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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1.80n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273360
PNG
((S)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C103H172N24O22/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-85(132)110-49-32-28-39-74(93(139)117-72(90(109)136)36-25-29-46-104)119-94(140)73(37-26-30-47-105)118-95(141)75(38-27-31-48-106)120-102(148)83-40-33-50-127(83)88(135)60-113-92(138)76(51-62(2)3)121-96(142)77(52-63(4)5)122-98(144)79(54-67-42-44-69(130)45-43-67)116-87(134)59-112-91(137)65(8)114-101(147)82(61-128)125-99(145)81(56-84(108)131)123-97(143)78(53-64(6)7)124-103(149)89(66(9)129)126-100(146)80(115-86(133)57-107)55-68-58-111-71-35-24-23-34-70(68)71/h23-24,34-35,42-45,58,62-66,72-83,89,111,128-130H,10-22,25-33,36-41,46-57,59-61,104-107H2,1-9H3,(H2,108,131)(H2,109,136)(H,110,132)(H,112,137)(H,113,138)(H,114,147)(H,115,133)(H,116,134)(H,117,139)(H,118,141)(H,119,140)(H,120,148)(H,121,142)(H,122,144)(H,123,143)(H,124,149)(H,125,145)(H,126,146)/t65-,66+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307250
PNG
(CHEMBL578514 | GalB2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C104H173N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)110-50-33-29-39-74(95(140)120-76(104(149)150)40-28-32-49-107)118-93(138)73(37-26-30-47-105)117-94(139)75(38-27-31-48-106)119-102(147)84-41-34-51-127(84)89(135)61-113-92(137)77(52-63(2)3)121-96(141)78(53-64(4)5)122-98(143)80(55-68-43-45-70(130)46-44-68)115-88(134)60-112-91(136)66(8)114-101(146)83(62-128)125-99(144)82(57-85(108)131)123-97(142)79(54-65(6)7)124-103(148)90(67(9)129)126-100(145)81(116-87(133)59-109-10)56-69-58-111-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,109,111,128-130H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,131)(H,110,132)(H,112,136)(H,113,137)(H,114,146)(H,115,134)(H,116,133)(H,117,139)(H,118,138)(H,119,147)(H,120,140)(H,121,141)(H,122,143)(H,123,142)(H,124,148)(H,125,144)(H,126,145)(H,149,150)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307250
PNG
(CHEMBL578514 | GalB2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C104H173N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)110-50-33-29-39-74(95(140)120-76(104(149)150)40-28-32-49-107)118-93(138)73(37-26-30-47-105)117-94(139)75(38-27-31-48-106)119-102(147)84-41-34-51-127(84)89(135)61-113-92(137)77(52-63(2)3)121-96(141)78(53-64(4)5)122-98(143)80(55-68-43-45-70(130)46-44-68)115-88(134)60-112-91(136)66(8)114-101(146)83(62-128)125-99(144)82(57-85(108)131)123-97(142)79(54-65(6)7)124-103(148)90(67(9)129)126-100(145)81(116-87(133)59-109-10)56-69-58-111-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,109,111,128-130H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,131)(H,110,132)(H,112,136)(H,113,137)(H,114,146)(H,115,134)(H,116,133)(H,117,139)(H,118,138)(H,119,147)(H,120,140)(H,121,141)(H,122,143)(H,123,142)(H,124,148)(H,125,144)(H,126,145)(H,149,150)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307253
PNG
(CHEMBL592415 | WTLNSAGYLLGPHAVGNHPSFSDKNGLTS-CONH2)
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)N[C@@H](CO)C(O)=O |r,wU:63.64,51.56,37.40,8.12,92.95,107.111,118.122,136.141,153.158,170.176,187.193,199.205,214.220,wD:59.60,75.79,43.48,32.33,16.25,4.4,88.92,102.107,126.130,147.152,164.170,178.184,207.213,208.216,(42.1,-65.81,;41.31,-64.49,;42.06,-63.14,;39.77,-64.51,;38.98,-63.18,;37.44,-63.2,;36.67,-64.54,;37.47,-65.87,;35.13,-64.56,;34.34,-63.22,;35.1,-61.88,;34.32,-60.55,;36.64,-61.87,;34.38,-65.91,;32.83,-65.91,;32.05,-64.59,;32.08,-67.27,;32.86,-68.6,;34.41,-68.58,;35.16,-67.23,;36.69,-67.22,;37.49,-68.54,;39.03,-68.52,;36.72,-69.88,;35.19,-69.9,;30.54,-67.28,;29.78,-68.62,;30.58,-69.95,;28.24,-68.64,;27.47,-69.98,;25.93,-70,;25.14,-68.67,;25.19,-71.35,;25.97,-72.68,;23.63,-71.36,;22.88,-72.71,;23.67,-74.04,;21.34,-72.73,;20.55,-71.39,;21.3,-70.06,;20.58,-74.07,;19.03,-74.09,;18.24,-72.76,;18.28,-75.44,;19.06,-76.76,;20.6,-76.74,;21.36,-75.4,;21.4,-78.07,;16.74,-75.44,;15.97,-76.8,;16.77,-78.11,;14.43,-76.8,;13.65,-75.48,;14.41,-74.14,;13.62,-72.81,;15.95,-74.12,;13.67,-78.15,;12.12,-78.18,;11.35,-76.84,;11.38,-79.52,;9.84,-79.53,;9.07,-80.88,;9.86,-82.2,;7.53,-80.9,;6.77,-82.24,;6.75,-79.57,;7.5,-78.23,;9.04,-78.04,;9.34,-76.54,;8,-75.79,;7.66,-74.29,;6.18,-73.82,;5.05,-74.86,;5.4,-76.36,;6.85,-76.82,;12.16,-80.84,;11.4,-82.18,;13.7,-80.83,;39.73,-61.84,;38.95,-60.5,;41.27,-61.81,;42.03,-60.47,;43.57,-60.45,;44.36,-61.77,;44.33,-59.11,;45.97,-59.47,;46.84,-58.04,;45.74,-56.77,;44.43,-57.6,;43.09,-56.83,;41.75,-57.6,;43.09,-55.29,;41.76,-54.52,;40.44,-55.29,;39.08,-54.51,;38.95,-52.96,;37.43,-52.64,;36.66,-53.95,;37.69,-55.11,;41.76,-52.96,;43.12,-52.19,;40.44,-52.2,;40.44,-50.66,;41.79,-49.86,;39.11,-49.89,;37.78,-50.66,;39.11,-48.32,;37.78,-47.57,;36.47,-48.32,;35.12,-47.55,;36.47,-49.85,;37.78,-46.02,;39.14,-45.22,;36.47,-45.25,;36.47,-43.68,;35.15,-42.92,;33.83,-43.68,;35.15,-41.37,;33.83,-40.6,;32.5,-41.37,;31.15,-40.58,;31.15,-39.02,;29.83,-41.33,;33.83,-39.04,;35.17,-38.25,;32.5,-38.28,;32.5,-36.71,;33.85,-35.93,;33.85,-34.41,;32.63,-33.49,;33.12,-32.04,;34.66,-32.05,;35.12,-33.52,;31.17,-35.94,;29.86,-36.71,;31.17,-34.39,;29.86,-33.64,;28.53,-34.39,;27.18,-33.61,;25.85,-34.38,;24.51,-33.59,;23.19,-34.36,;23.19,-35.9,;21.84,-33.57,;29.86,-32.06,;31.2,-31.29,;28.53,-31.3,;28.53,-29.75,;29.87,-28.97,;29.87,-27.44,;27.21,-28.98,;25.88,-29.75,;27.21,-27.41,;25.88,-26.66,;24.57,-27.41,;23.21,-26.65,;23.23,-25.1,;21.9,-24.32,;20.56,-25.08,;20.55,-26.62,;21.89,-27.4,;25.88,-25.11,;27.23,-24.32,;24.57,-24.33,;24.57,-22.77,;25.92,-22,;25.92,-20.47,;23.24,-22.01,;21.91,-22.77,;23.24,-20.46,;21.91,-19.69,;20.59,-20.46,;19.25,-19.68,;19.25,-18.12,;17.92,-20.45,;21.91,-18.13,;23.27,-17.36,;20.59,-17.37,;20.59,-15.82,;21.95,-15.04,;21.95,-13.51,;23.29,-12.73,;23.29,-11.2,;24.64,-10.42,;19.26,-15.05,;17.95,-15.82,;19.26,-13.48,;17.95,-12.73,;16.62,-13.48,;15.27,-12.71,;15.27,-11.16,;13.96,-13.47,;17.95,-11.17,;19.29,-10.39,;16.62,-10.4,;16.62,-8.84,;15.3,-8.08,;13.97,-8.84,;15.3,-6.53,;13.97,-5.76,;12.66,-6.53,;11.31,-5.75,;9.98,-6.52,;11.31,-4.18,;13.97,-4.2,;15.33,-3.43,;12.66,-3.44,;12.66,-1.89,;14,-1.1,;15.36,-1.89,;14,.42,;11.33,-1.12,;10.01,-1.89,;11.33,.45,;10.01,1.21,;8.68,.45,;7.34,1.22,;10.01,2.76,;8.68,3.53,;11.35,3.54,)|
Show InChI InChI=1S/C137H207N41O42/c1-64(2)38-84(162-120(203)86(40-66(5)6)163-122(205)88(43-74-31-33-78(185)34-32-74)158-104(189)54-149-112(195)69(11)155-129(212)96(58-179)172-126(209)94(49-103(142)188)167-121(204)87(41-67(7)8)170-134(217)110(71(13)183)176-114(197)80(139)44-75-51-148-81-27-19-18-26-79(75)81)115(198)152-57-107(192)178-37-23-30-100(178)132(215)169-90(45-76-52-145-62-153-76)119(202)156-70(12)113(196)175-109(68(9)10)133(216)151-56-106(191)159-93(48-102(141)187)125(208)165-91(46-77-53-146-63-154-77)124(207)161-83(29-22-36-147-137(143)144)118(201)171-97(59-180)130(213)164-89(42-73-24-16-15-17-25-73)123(206)173-98(60-181)131(214)168-95(50-108(193)194)127(210)160-82(28-20-21-35-138)117(200)166-92(47-101(140)186)116(199)150-55-105(190)157-85(39-65(3)4)128(211)177-111(72(14)184)135(218)174-99(61-182)136(219)220/h15-19,24-27,31-34,51-53,62-72,80,82-100,109-111,148,179-185H,20-23,28-30,35-50,54-61,138-139H2,1-14H3,(H2,140,186)(H2,141,187)(H2,142,188)(H,145,153)(H,146,154)(H,149,195)(H,150,199)(H,151,216)(H,152,198)(H,155,212)(H,156,202)(H,157,190)(H,158,189)(H,159,191)(H,160,210)(H,161,207)(H,162,203)(H,163,205)(H,164,213)(H,165,208)(H,166,200)(H,167,204)(H,168,214)(H,169,215)(H,170,217)(H,171,201)(H,172,209)(H,173,206)(H,174,218)(H,175,196)(H,176,197)(H,177,211)(H,193,194)(H,219,220)(H4,143,144,147)/t69-,70-,71+,72+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,109-,110-,111-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307257
PNG
(CHEMBL578910 | [Sar1Ala]GAL-B2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(94(140)117-73(90(110)136)37-26-30-47-105)119-95(141)74(38-27-31-48-106)118-96(142)76(39-28-32-49-107)120-103(149)84-41-34-51-128(84)88(135)60-114-93(139)77(52-62(2)3)122-97(143)78(53-63(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-87(134)59-113-92(138)66(9)115-102(148)83(61-129)126-100(146)82(57-85(109)132)124-98(144)79(54-64(6)7)125-104(150)89(67(10)130)127-101(147)81(121-91(137)65(8)108)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,62-67,73-84,89,112,129-131H,11-23,26-34,37-42,47-57,59-61,105-108H2,1-10H3,(H2,109,132)(H2,110,136)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,134)(H,117,140)(H,118,142)(H,119,141)(H,120,149)(H,121,137)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t65-,66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307258
PNG
(CHEMBL578317 | [N-Ac,des-Sar]Gal-B2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C103H171N23O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)109-50-33-29-40-75(93(138)116-73(90(108)135)37-26-30-47-104)118-94(139)74(38-27-31-48-105)117-95(140)76(39-28-32-49-106)119-102(147)84-41-34-51-126(84)88(134)60-112-92(137)77(52-62(2)3)120-96(141)78(53-63(4)5)121-98(143)80(55-68-43-45-70(130)46-44-68)115-87(133)59-111-91(136)65(8)113-101(146)83(61-127)124-99(144)82(57-85(107)131)122-97(142)79(54-64(6)7)123-103(148)89(66(9)128)125-100(145)81(114-67(10)129)56-69-58-110-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,62-66,73-84,89,110,127-128,130H,11-23,26-34,37-42,47-57,59-61,104-106H2,1-10H3,(H2,107,131)(H2,108,135)(H,109,132)(H,111,136)(H,112,137)(H,113,146)(H,114,129)(H,115,133)(H,116,138)(H,117,140)(H,118,139)(H,119,147)(H,120,141)(H,121,143)(H,122,142)(H,123,148)(H,124,144)(H,125,145)/t65-,66+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273360
PNG
((S)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C103H172N24O22/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-85(132)110-49-32-28-39-74(93(139)117-72(90(109)136)36-25-29-46-104)119-94(140)73(37-26-30-47-105)118-95(141)75(38-27-31-48-106)120-102(148)83-40-33-50-127(83)88(135)60-113-92(138)76(51-62(2)3)121-96(142)77(52-63(4)5)122-98(144)79(54-67-42-44-69(130)45-43-67)116-87(134)59-112-91(137)65(8)114-101(147)82(61-128)125-99(145)81(56-84(108)131)123-97(143)78(53-64(6)7)124-103(149)89(66(9)129)126-100(146)80(115-86(133)57-107)55-68-58-111-71-35-24-23-34-70(68)71/h23-24,34-35,42-45,58,62-66,72-83,89,111,128-130H,10-22,25-33,36-41,46-57,59-61,104-107H2,1-9H3,(H2,108,131)(H2,109,136)(H,110,132)(H,112,137)(H,113,138)(H,114,147)(H,115,133)(H,116,134)(H,117,139)(H,118,141)(H,119,140)(H,120,148)(H,121,142)(H,122,144)(H,123,143)(H,124,149)(H,125,145)(H,126,146)/t65-,66+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307259
PNG
(CHEMBL604991 | [N-Me,des-Sar]Gal-B2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C102H171N23O21/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-85(130)109-50-33-29-40-74(92(136)115-72(89(107)133)37-26-30-47-103)117-93(137)73(38-27-31-48-104)116-94(138)75(39-28-32-49-105)118-101(145)83-41-34-51-125(83)87(132)60-112-91(135)77(52-62(2)3)119-96(140)78(53-63(4)5)120-98(142)80(55-67-43-45-69(128)46-44-67)114-86(131)59-111-90(134)65(8)113-100(144)82(61-126)123-99(143)81(57-84(106)129)121-97(141)79(54-64(6)7)122-102(146)88(66(9)127)124-95(139)76(108-10)56-68-58-110-71-36-25-24-35-70(68)71/h24-25,35-36,43-46,58,62-66,72-83,88,108,110,126-128H,11-23,26-34,37-42,47-57,59-61,103-105H2,1-10H3,(H2,106,129)(H2,107,133)(H,109,130)(H,111,134)(H,112,135)(H,113,144)(H,114,131)(H,115,136)(H,116,138)(H,117,137)(H,118,145)(H,119,140)(H,120,142)(H,121,141)(H,122,146)(H,123,143)(H,124,139)/t65-,66+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307257
PNG
(CHEMBL578910 | [Sar1Ala]GAL-B2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(94(140)117-73(90(110)136)37-26-30-47-105)119-95(141)74(38-27-31-48-106)118-96(142)76(39-28-32-49-107)120-103(149)84-41-34-51-128(84)88(135)60-114-93(139)77(52-62(2)3)122-97(143)78(53-63(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-87(134)59-113-92(138)66(9)115-102(148)83(61-129)126-100(146)82(57-85(109)132)124-98(144)79(54-64(6)7)125-104(150)89(67(10)130)127-101(147)81(121-91(137)65(8)108)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,62-67,73-84,89,112,129-131H,11-23,26-34,37-42,47-57,59-61,105-108H2,1-10H3,(H2,109,132)(H2,110,136)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,134)(H,117,140)(H,118,142)(H,119,141)(H,120,149)(H,121,137)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t65-,66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273358
PNG
((S)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C101H169N23O21/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-84(129)108-49-32-28-39-74(92(136)114-72(88(107)132)36-25-29-46-102)116-93(137)73(37-26-30-47-103)115-94(138)75(38-27-31-48-104)117-100(144)82-40-33-50-124(82)86(131)59-111-91(135)76(51-61(2)3)118-95(139)77(52-62(4)5)119-97(141)79(54-66-42-44-68(127)45-43-66)113-85(130)58-110-89(133)64(8)112-99(143)81(60-125)122-98(142)80(56-83(106)128)120-96(140)78(53-63(6)7)121-101(145)87(65(9)126)123-90(134)70(105)55-67-57-109-71-35-24-23-34-69(67)71/h23-24,34-35,42-45,57,61-65,70,72-82,87,109,125-127H,10-22,25-33,36-41,46-56,58-60,102-105H2,1-9H3,(H2,106,128)(H2,107,132)(H,108,129)(H,110,133)(H,111,135)(H,112,143)(H,113,130)(H,114,136)(H,115,138)(H,116,137)(H,117,144)(H,118,139)(H,119,141)(H,120,140)(H,121,145)(H,122,142)(H,123,134)/t64-,65+,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-/m0/s1
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48n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307253
PNG
(CHEMBL592415 | WTLNSAGYLLGPHAVGNHPSFSDKNGLTS-CONH2)
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)N[C@@H](CO)C(O)=O |r,wU:63.64,51.56,37.40,8.12,92.95,107.111,118.122,136.141,153.158,170.176,187.193,199.205,214.220,wD:59.60,75.79,43.48,32.33,16.25,4.4,88.92,102.107,126.130,147.152,164.170,178.184,207.213,208.216,(42.1,-65.81,;41.31,-64.49,;42.06,-63.14,;39.77,-64.51,;38.98,-63.18,;37.44,-63.2,;36.67,-64.54,;37.47,-65.87,;35.13,-64.56,;34.34,-63.22,;35.1,-61.88,;34.32,-60.55,;36.64,-61.87,;34.38,-65.91,;32.83,-65.91,;32.05,-64.59,;32.08,-67.27,;32.86,-68.6,;34.41,-68.58,;35.16,-67.23,;36.69,-67.22,;37.49,-68.54,;39.03,-68.52,;36.72,-69.88,;35.19,-69.9,;30.54,-67.28,;29.78,-68.62,;30.58,-69.95,;28.24,-68.64,;27.47,-69.98,;25.93,-70,;25.14,-68.67,;25.19,-71.35,;25.97,-72.68,;23.63,-71.36,;22.88,-72.71,;23.67,-74.04,;21.34,-72.73,;20.55,-71.39,;21.3,-70.06,;20.58,-74.07,;19.03,-74.09,;18.24,-72.76,;18.28,-75.44,;19.06,-76.76,;20.6,-76.74,;21.36,-75.4,;21.4,-78.07,;16.74,-75.44,;15.97,-76.8,;16.77,-78.11,;14.43,-76.8,;13.65,-75.48,;14.41,-74.14,;13.62,-72.81,;15.95,-74.12,;13.67,-78.15,;12.12,-78.18,;11.35,-76.84,;11.38,-79.52,;9.84,-79.53,;9.07,-80.88,;9.86,-82.2,;7.53,-80.9,;6.77,-82.24,;6.75,-79.57,;7.5,-78.23,;9.04,-78.04,;9.34,-76.54,;8,-75.79,;7.66,-74.29,;6.18,-73.82,;5.05,-74.86,;5.4,-76.36,;6.85,-76.82,;12.16,-80.84,;11.4,-82.18,;13.7,-80.83,;39.73,-61.84,;38.95,-60.5,;41.27,-61.81,;42.03,-60.47,;43.57,-60.45,;44.36,-61.77,;44.33,-59.11,;45.97,-59.47,;46.84,-58.04,;45.74,-56.77,;44.43,-57.6,;43.09,-56.83,;41.75,-57.6,;43.09,-55.29,;41.76,-54.52,;40.44,-55.29,;39.08,-54.51,;38.95,-52.96,;37.43,-52.64,;36.66,-53.95,;37.69,-55.11,;41.76,-52.96,;43.12,-52.19,;40.44,-52.2,;40.44,-50.66,;41.79,-49.86,;39.11,-49.89,;37.78,-50.66,;39.11,-48.32,;37.78,-47.57,;36.47,-48.32,;35.12,-47.55,;36.47,-49.85,;37.78,-46.02,;39.14,-45.22,;36.47,-45.25,;36.47,-43.68,;35.15,-42.92,;33.83,-43.68,;35.15,-41.37,;33.83,-40.6,;32.5,-41.37,;31.15,-40.58,;31.15,-39.02,;29.83,-41.33,;33.83,-39.04,;35.17,-38.25,;32.5,-38.28,;32.5,-36.71,;33.85,-35.93,;33.85,-34.41,;32.63,-33.49,;33.12,-32.04,;34.66,-32.05,;35.12,-33.52,;31.17,-35.94,;29.86,-36.71,;31.17,-34.39,;29.86,-33.64,;28.53,-34.39,;27.18,-33.61,;25.85,-34.38,;24.51,-33.59,;23.19,-34.36,;23.19,-35.9,;21.84,-33.57,;29.86,-32.06,;31.2,-31.29,;28.53,-31.3,;28.53,-29.75,;29.87,-28.97,;29.87,-27.44,;27.21,-28.98,;25.88,-29.75,;27.21,-27.41,;25.88,-26.66,;24.57,-27.41,;23.21,-26.65,;23.23,-25.1,;21.9,-24.32,;20.56,-25.08,;20.55,-26.62,;21.89,-27.4,;25.88,-25.11,;27.23,-24.32,;24.57,-24.33,;24.57,-22.77,;25.92,-22,;25.92,-20.47,;23.24,-22.01,;21.91,-22.77,;23.24,-20.46,;21.91,-19.69,;20.59,-20.46,;19.25,-19.68,;19.25,-18.12,;17.92,-20.45,;21.91,-18.13,;23.27,-17.36,;20.59,-17.37,;20.59,-15.82,;21.95,-15.04,;21.95,-13.51,;23.29,-12.73,;23.29,-11.2,;24.64,-10.42,;19.26,-15.05,;17.95,-15.82,;19.26,-13.48,;17.95,-12.73,;16.62,-13.48,;15.27,-12.71,;15.27,-11.16,;13.96,-13.47,;17.95,-11.17,;19.29,-10.39,;16.62,-10.4,;16.62,-8.84,;15.3,-8.08,;13.97,-8.84,;15.3,-6.53,;13.97,-5.76,;12.66,-6.53,;11.31,-5.75,;9.98,-6.52,;11.31,-4.18,;13.97,-4.2,;15.33,-3.43,;12.66,-3.44,;12.66,-1.89,;14,-1.1,;15.36,-1.89,;14,.42,;11.33,-1.12,;10.01,-1.89,;11.33,.45,;10.01,1.21,;8.68,.45,;7.34,1.22,;10.01,2.76,;8.68,3.53,;11.35,3.54,)|
Show InChI InChI=1S/C137H207N41O42/c1-64(2)38-84(162-120(203)86(40-66(5)6)163-122(205)88(43-74-31-33-78(185)34-32-74)158-104(189)54-149-112(195)69(11)155-129(212)96(58-179)172-126(209)94(49-103(142)188)167-121(204)87(41-67(7)8)170-134(217)110(71(13)183)176-114(197)80(139)44-75-51-148-81-27-19-18-26-79(75)81)115(198)152-57-107(192)178-37-23-30-100(178)132(215)169-90(45-76-52-145-62-153-76)119(202)156-70(12)113(196)175-109(68(9)10)133(216)151-56-106(191)159-93(48-102(141)187)125(208)165-91(46-77-53-146-63-154-77)124(207)161-83(29-22-36-147-137(143)144)118(201)171-97(59-180)130(213)164-89(42-73-24-16-15-17-25-73)123(206)173-98(60-181)131(214)168-95(50-108(193)194)127(210)160-82(28-20-21-35-138)117(200)166-92(47-101(140)186)116(199)150-55-105(190)157-85(39-65(3)4)128(211)177-111(72(14)184)135(218)174-99(61-182)136(219)220/h15-19,24-27,31-34,51-53,62-72,80,82-100,109-111,148,179-185H,20-23,28-30,35-50,54-61,138-139H2,1-14H3,(H2,140,186)(H2,141,187)(H2,142,188)(H,145,153)(H,146,154)(H,149,195)(H,150,199)(H,151,216)(H,152,198)(H,155,212)(H,156,202)(H,157,190)(H,158,189)(H,159,191)(H,160,210)(H,161,207)(H,162,203)(H,163,205)(H,164,213)(H,165,208)(H,166,200)(H,167,204)(H,168,214)(H,169,215)(H,170,217)(H,171,201)(H,172,209)(H,173,206)(H,174,218)(H,175,196)(H,176,197)(H,177,211)(H,193,194)(H,219,220)(H4,143,144,147)/t69-,70-,71+,72+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,109-,110-,111-/m0/s1
Reactome pathway
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51n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307250
PNG
(CHEMBL578514 | GalB2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C104H173N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)110-50-33-29-39-74(95(140)120-76(104(149)150)40-28-32-49-107)118-93(138)73(37-26-30-47-105)117-94(139)75(38-27-31-48-106)119-102(147)84-41-34-51-127(84)89(135)61-113-92(137)77(52-63(2)3)121-96(141)78(53-64(4)5)122-98(143)80(55-68-43-45-70(130)46-44-68)115-88(134)60-112-91(136)66(8)114-101(146)83(62-128)125-99(144)82(57-85(108)131)123-97(142)79(54-65(6)7)124-103(148)90(67(9)129)126-100(145)81(116-87(133)59-109-10)56-69-58-111-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,109,111,128-130H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,131)(H,110,132)(H,112,136)(H,113,137)(H,114,146)(H,115,134)(H,116,133)(H,117,139)(H,118,138)(H,119,147)(H,120,140)(H,121,141)(H,122,143)(H,123,142)(H,124,148)(H,125,144)(H,126,145)(H,149,150)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307250
PNG
(CHEMBL578514 | GalB2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C104H173N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)110-50-33-29-39-74(95(140)120-76(104(149)150)40-28-32-49-107)118-93(138)73(37-26-30-47-105)117-94(139)75(38-27-31-48-106)119-102(147)84-41-34-51-127(84)89(135)61-113-92(137)77(52-63(2)3)121-96(141)78(53-64(4)5)122-98(143)80(55-68-43-45-70(130)46-44-68)115-88(134)60-112-91(136)66(8)114-101(146)83(62-128)125-99(144)82(57-85(108)131)123-97(142)79(54-65(6)7)124-103(148)90(67(9)129)126-100(145)81(116-87(133)59-109-10)56-69-58-111-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,109,111,128-130H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,131)(H,110,132)(H,112,136)(H,113,137)(H,114,146)(H,115,134)(H,116,133)(H,117,139)(H,118,138)(H,119,147)(H,120,140)(H,121,141)(H,122,143)(H,123,142)(H,124,148)(H,125,144)(H,126,145)(H,149,150)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307251
PNG
(CHEMBL592170 | GWTLNSAGYLLGPHAVGNHRSFSDKNGLTS-CONH...)
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(N)=O |r,wU:182.187,202.210,166.175,155.160,139.152,123.131,112.114,97.99,71.79,54.57,37.39,29.33,12.16,4.4,218.224,wD:186.203,174.183,160.167,131.139,102.111,93.95,81.87,60.68,43.51,20.25,211.217,212.220,(43.33,-74.31,;42.1,-75.24,;42.28,-76.76,;40.69,-74.64,;39.45,-75.58,;38.03,-74.97,;37.84,-73.45,;39.07,-72.52,;36.41,-72.84,;36.22,-71.32,;34.8,-70.71,;33.58,-71.64,;34.62,-69.2,;35.85,-68.27,;37.27,-68.86,;37.46,-70.38,;38.5,-67.94,;33.19,-68.59,;33.01,-67.07,;34.25,-66.14,;31.58,-66.47,;30.36,-67.38,;30.54,-68.92,;29.33,-69.84,;29.51,-71.38,;28.29,-72.3,;31.4,-64.94,;29.97,-64.33,;28.75,-65.26,;29.79,-62.82,;31.03,-61.89,;32.43,-62.48,;32.61,-64.01,;33.68,-61.56,;28.35,-62.21,;28.17,-60.68,;26.76,-60.07,;29.39,-59.75,;30.83,-60.36,;32.06,-59.43,;29.21,-58.24,;27.78,-57.63,;26.56,-58.54,;27.59,-56.09,;26.19,-55.49,;24.94,-56.42,;25.15,-57.96,;23.93,-58.88,;22.51,-58.29,;22.3,-56.77,;23.53,-55.83,;28.82,-55.17,;28.63,-53.63,;27.22,-53.03,;29.85,-52.71,;31.28,-53.32,;31.47,-54.84,;29.66,-51.17,;30.9,-50.25,;32.32,-50.86,;30.71,-48.72,;29.29,-48.11,;28.06,-49.05,;26.65,-48.45,;25.4,-49.38,;24,-48.78,;23.81,-47.26,;22.77,-49.71,;31.93,-47.79,;31.74,-46.26,;30.34,-45.66,;32.96,-45.34,;34.39,-45.94,;34.57,-47.46,;33.46,-48.52,;34.11,-49.91,;35.64,-49.72,;35.92,-48.21,;32.77,-43.8,;34,-42.88,;35.43,-43.49,;33.81,-41.34,;32.4,-40.74,;31.17,-41.67,;31.36,-43.21,;29.75,-41.08,;35.03,-40.42,;34.84,-38.88,;33.44,-38.29,;36.06,-37.97,;35.87,-36.42,;37.11,-35.51,;38.53,-36.12,;36.92,-33.97,;38.14,-33.05,;37.95,-31.51,;36.55,-30.91,;39.18,-30.59,;40.6,-31.19,;38.99,-29.05,;40.22,-28.13,;41.64,-28.74,;40.03,-26.59,;38.62,-25.99,;37.38,-26.93,;37.42,-28.47,;35.95,-28.98,;35.03,-27.76,;35.91,-26.49,;41.26,-25.67,;41.07,-24.14,;39.65,-23.54,;42.3,-23.22,;43.69,-23.9,;44.64,-22.49,;43.62,-21.17,;42.03,-21.73,;40.69,-20.97,;40.69,-19.42,;39.36,-21.73,;38.03,-20.95,;36.68,-21.73,;36.69,-23.26,;35.35,-20.95,;35.36,-19.41,;36.69,-18.64,;36.7,-17.1,;38.03,-19.41,;34.02,-21.72,;32.69,-20.94,;32.69,-19.41,;31.36,-21.71,;31.35,-23.25,;32.69,-24.02,;32.68,-25.56,;34.02,-23.26,;30.03,-20.94,;28.68,-21.71,;28.69,-23.24,;27.35,-20.93,;27.36,-19.39,;28.69,-18.63,;30.01,-19.39,;31.35,-18.63,;31.34,-17.09,;32.68,-16.31,;30.01,-16.32,;28.69,-17.09,;26.02,-21.7,;24.69,-20.93,;24.69,-19.39,;23.36,-21.69,;22.03,-20.92,;20.68,-21.69,;20.69,-23.23,;19.35,-20.91,;19.36,-19.38,;18.02,-21.68,;16.68,-20.91,;16.68,-19.37,;15.35,-21.67,;15.34,-23.22,;16.69,-23.99,;14.02,-20.91,;12.68,-21.67,;12.69,-23.21,;11.35,-20.9,;11.36,-19.36,;12.69,-18.6,;14.03,-19.36,;12.69,-17.05,;10.02,-21.67,;8.68,-20.89,;8.68,-19.36,;7.35,-21.66,;7.34,-23.2,;8.69,-23.97,;8.68,-25.52,;10.02,-23.2,;6.02,-20.89,;4.68,-21.65,;4.68,-23.19,;3.35,-20.88,;2.02,-21.65,;.68,-20.88,;.68,-19.34,;-.65,-21.64,;-.66,-23.18,;.69,-23.95,;2.08,-23.34,;3.1,-24.48,;2.33,-25.81,;2.81,-27.28,;1.77,-28.41,;.26,-28.09,;-.2,-26.62,;.84,-25.48,;-1.98,-20.87,;-3.33,-21.64,;-3.32,-23.17,;-4.65,-20.87,;-5.98,-21.63,;3.36,-19.34,;2.03,-18.56,;4.69,-18.58,;35.5,-33.37,;34.27,-34.3,;35.32,-31.85,;39.63,-77.09,;38.41,-78.02,;41.06,-77.7,;41.25,-79.22,;40.03,-80.14,;38.61,-79.54,;40.22,-81.67,;42.67,-79.82,;43.91,-78.9,;42.85,-81.35,;44.29,-81.95,;45.52,-81.02,;46.93,-81.62,;44.47,-83.47,;45.89,-84.08,;43.24,-84.4,)|
Show InChI InChI=1S/C139H211N43O42/c1-65(2)38-84(166-122(208)86(40-67(5)6)167-124(210)88(43-75-31-33-79(189)34-32-75)162-106(194)55-152-115(201)70(11)158-132(218)98(60-184)177-128(214)95(49-104(144)192)171-123(209)87(41-68(7)8)174-137(223)112(72(13)187)181-131(217)90(160-105(193)51-141)44-76-52-151-81-27-19-18-26-80(76)81)117(203)155-58-109(197)182-37-23-30-101(182)135(221)173-91(45-77-53-148-63-156-77)121(207)159-71(12)116(202)179-111(69(9)10)136(222)154-57-108(196)163-94(48-103(143)191)127(213)169-92(46-78-54-149-64-157-78)126(212)165-83(29-22-36-150-139(146)147)120(206)176-99(61-185)133(219)168-89(42-74-24-16-15-17-25-74)125(211)178-100(62-186)134(220)172-96(50-110(198)199)129(215)164-82(28-20-21-35-140)119(205)170-93(47-102(142)190)118(204)153-56-107(195)161-85(39-66(3)4)130(216)180-113(73(14)188)138(224)175-97(59-183)114(145)200/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,151,183-189H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,190)(H2,143,191)(H2,144,192)(H2,145,200)(H,148,156)(H,149,157)(H,152,201)(H,153,204)(H,154,222)(H,155,203)(H,158,218)(H,159,207)(H,160,193)(H,161,195)(H,162,194)(H,163,196)(H,164,215)(H,165,212)(H,166,208)(H,167,210)(H,168,219)(H,169,213)(H,170,205)(H,171,209)(H,172,220)(H,173,221)(H,174,223)(H,175,224)(H,176,206)(H,177,214)(H,178,211)(H,179,202)(H,180,216)(H,181,217)(H,198,199)(H4,146,147,150)/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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218n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307259
PNG
(CHEMBL604991 | [N-Me,des-Sar]Gal-B2)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C102H171N23O21/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-85(130)109-50-33-29-40-74(92(136)115-72(89(107)133)37-26-30-47-103)117-93(137)73(38-27-31-48-104)116-94(138)75(39-28-32-49-105)118-101(145)83-41-34-51-125(83)87(132)60-112-91(135)77(52-62(2)3)119-96(140)78(53-63(4)5)120-98(142)80(55-67-43-45-69(128)46-44-67)114-86(131)59-111-90(134)65(8)113-100(144)82(61-126)123-99(143)81(57-84(106)129)121-97(141)79(54-64(6)7)122-102(146)88(66(9)127)124-95(139)76(108-10)56-68-58-110-71-36-25-24-35-70(68)71/h24-25,35-36,43-46,58,62-66,72-83,88,108,110,126-128H,11-23,26-34,37-42,47-57,59-61,103-105H2,1-10H3,(H2,106,129)(H2,107,133)(H,109,130)(H,111,134)(H,112,135)(H,113,144)(H,114,131)(H,115,136)(H,116,138)(H,117,137)(H,118,145)(H,119,140)(H,120,142)(H,121,141)(H,122,146)(H,123,143)(H,124,139)/t65-,66+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-/m0/s1
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365n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273358
PNG
((S)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C101H169N23O21/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-84(129)108-49-32-28-39-74(92(136)114-72(88(107)132)36-25-29-46-102)116-93(137)73(37-26-30-47-103)115-94(138)75(38-27-31-48-104)117-100(144)82-40-33-50-124(82)86(131)59-111-91(135)76(51-61(2)3)118-95(139)77(52-62(4)5)119-97(141)79(54-66-42-44-68(127)45-43-66)113-85(130)58-110-89(133)64(8)112-99(143)81(60-125)122-98(142)80(56-83(106)128)120-96(140)78(53-63(6)7)121-101(145)87(65(9)126)123-90(134)70(105)55-67-57-109-71-35-24-23-34-69(67)71/h23-24,34-35,42-45,57,61-65,70,72-82,87,109,125-127H,10-22,25-33,36-41,46-56,58-60,102-105H2,1-9H3,(H2,106,128)(H2,107,132)(H,108,129)(H,110,133)(H,111,135)(H,112,143)(H,113,130)(H,114,136)(H,115,138)(H,116,137)(H,117,144)(H,118,139)(H,119,141)(H,120,140)(H,121,145)(H,122,142)(H,123,134)/t64-,65+,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-/m0/s1
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387n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307251
PNG
(CHEMBL592170 | GWTLNSAGYLLGPHAVGNHRSFSDKNGLTS-CONH...)
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(N)=O |r,wU:182.187,202.210,166.175,155.160,139.152,123.131,112.114,97.99,71.79,54.57,37.39,29.33,12.16,4.4,218.224,wD:186.203,174.183,160.167,131.139,102.111,93.95,81.87,60.68,43.51,20.25,211.217,212.220,(43.33,-74.31,;42.1,-75.24,;42.28,-76.76,;40.69,-74.64,;39.45,-75.58,;38.03,-74.97,;37.84,-73.45,;39.07,-72.52,;36.41,-72.84,;36.22,-71.32,;34.8,-70.71,;33.58,-71.64,;34.62,-69.2,;35.85,-68.27,;37.27,-68.86,;37.46,-70.38,;38.5,-67.94,;33.19,-68.59,;33.01,-67.07,;34.25,-66.14,;31.58,-66.47,;30.36,-67.38,;30.54,-68.92,;29.33,-69.84,;29.51,-71.38,;28.29,-72.3,;31.4,-64.94,;29.97,-64.33,;28.75,-65.26,;29.79,-62.82,;31.03,-61.89,;32.43,-62.48,;32.61,-64.01,;33.68,-61.56,;28.35,-62.21,;28.17,-60.68,;26.76,-60.07,;29.39,-59.75,;30.83,-60.36,;32.06,-59.43,;29.21,-58.24,;27.78,-57.63,;26.56,-58.54,;27.59,-56.09,;26.19,-55.49,;24.94,-56.42,;25.15,-57.96,;23.93,-58.88,;22.51,-58.29,;22.3,-56.77,;23.53,-55.83,;28.82,-55.17,;28.63,-53.63,;27.22,-53.03,;29.85,-52.71,;31.28,-53.32,;31.47,-54.84,;29.66,-51.17,;30.9,-50.25,;32.32,-50.86,;30.71,-48.72,;29.29,-48.11,;28.06,-49.05,;26.65,-48.45,;25.4,-49.38,;24,-48.78,;23.81,-47.26,;22.77,-49.71,;31.93,-47.79,;31.74,-46.26,;30.34,-45.66,;32.96,-45.34,;34.39,-45.94,;34.57,-47.46,;33.46,-48.52,;34.11,-49.91,;35.64,-49.72,;35.92,-48.21,;32.77,-43.8,;34,-42.88,;35.43,-43.49,;33.81,-41.34,;32.4,-40.74,;31.17,-41.67,;31.36,-43.21,;29.75,-41.08,;35.03,-40.42,;34.84,-38.88,;33.44,-38.29,;36.06,-37.97,;35.87,-36.42,;37.11,-35.51,;38.53,-36.12,;36.92,-33.97,;38.14,-33.05,;37.95,-31.51,;36.55,-30.91,;39.18,-30.59,;40.6,-31.19,;38.99,-29.05,;40.22,-28.13,;41.64,-28.74,;40.03,-26.59,;38.62,-25.99,;37.38,-26.93,;37.42,-28.47,;35.95,-28.98,;35.03,-27.76,;35.91,-26.49,;41.26,-25.67,;41.07,-24.14,;39.65,-23.54,;42.3,-23.22,;43.69,-23.9,;44.64,-22.49,;43.62,-21.17,;42.03,-21.73,;40.69,-20.97,;40.69,-19.42,;39.36,-21.73,;38.03,-20.95,;36.68,-21.73,;36.69,-23.26,;35.35,-20.95,;35.36,-19.41,;36.69,-18.64,;36.7,-17.1,;38.03,-19.41,;34.02,-21.72,;32.69,-20.94,;32.69,-19.41,;31.36,-21.71,;31.35,-23.25,;32.69,-24.02,;32.68,-25.56,;34.02,-23.26,;30.03,-20.94,;28.68,-21.71,;28.69,-23.24,;27.35,-20.93,;27.36,-19.39,;28.69,-18.63,;30.01,-19.39,;31.35,-18.63,;31.34,-17.09,;32.68,-16.31,;30.01,-16.32,;28.69,-17.09,;26.02,-21.7,;24.69,-20.93,;24.69,-19.39,;23.36,-21.69,;22.03,-20.92,;20.68,-21.69,;20.69,-23.23,;19.35,-20.91,;19.36,-19.38,;18.02,-21.68,;16.68,-20.91,;16.68,-19.37,;15.35,-21.67,;15.34,-23.22,;16.69,-23.99,;14.02,-20.91,;12.68,-21.67,;12.69,-23.21,;11.35,-20.9,;11.36,-19.36,;12.69,-18.6,;14.03,-19.36,;12.69,-17.05,;10.02,-21.67,;8.68,-20.89,;8.68,-19.36,;7.35,-21.66,;7.34,-23.2,;8.69,-23.97,;8.68,-25.52,;10.02,-23.2,;6.02,-20.89,;4.68,-21.65,;4.68,-23.19,;3.35,-20.88,;2.02,-21.65,;.68,-20.88,;.68,-19.34,;-.65,-21.64,;-.66,-23.18,;.69,-23.95,;2.08,-23.34,;3.1,-24.48,;2.33,-25.81,;2.81,-27.28,;1.77,-28.41,;.26,-28.09,;-.2,-26.62,;.84,-25.48,;-1.98,-20.87,;-3.33,-21.64,;-3.32,-23.17,;-4.65,-20.87,;-5.98,-21.63,;3.36,-19.34,;2.03,-18.56,;4.69,-18.58,;35.5,-33.37,;34.27,-34.3,;35.32,-31.85,;39.63,-77.09,;38.41,-78.02,;41.06,-77.7,;41.25,-79.22,;40.03,-80.14,;38.61,-79.54,;40.22,-81.67,;42.67,-79.82,;43.91,-78.9,;42.85,-81.35,;44.29,-81.95,;45.52,-81.02,;46.93,-81.62,;44.47,-83.47,;45.89,-84.08,;43.24,-84.4,)|
Show InChI InChI=1S/C139H211N43O42/c1-65(2)38-84(166-122(208)86(40-67(5)6)167-124(210)88(43-75-31-33-79(189)34-32-75)162-106(194)55-152-115(201)70(11)158-132(218)98(60-184)177-128(214)95(49-104(144)192)171-123(209)87(41-68(7)8)174-137(223)112(72(13)187)181-131(217)90(160-105(193)51-141)44-76-52-151-81-27-19-18-26-80(76)81)117(203)155-58-109(197)182-37-23-30-101(182)135(221)173-91(45-77-53-148-63-156-77)121(207)159-71(12)116(202)179-111(69(9)10)136(222)154-57-108(196)163-94(48-103(143)191)127(213)169-92(46-78-54-149-64-157-78)126(212)165-83(29-22-36-150-139(146)147)120(206)176-99(61-185)133(219)168-89(42-74-24-16-15-17-25-74)125(211)178-100(62-186)134(220)172-96(50-110(198)199)129(215)164-82(28-20-21-35-140)119(205)170-93(47-102(142)190)118(204)153-56-107(195)161-85(39-66(3)4)130(216)180-113(73(14)188)138(224)175-97(59-183)114(145)200/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,151,183-189H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,190)(H2,143,191)(H2,144,192)(H2,145,200)(H,148,156)(H,149,157)(H,152,201)(H,153,204)(H,154,222)(H,155,203)(H,158,218)(H,159,207)(H,160,193)(H,161,195)(H,162,194)(H,163,196)(H,164,215)(H,165,212)(H,166,208)(H,167,210)(H,168,219)(H,169,213)(H,170,205)(H,171,209)(H,172,220)(H,173,221)(H,174,223)(H,175,224)(H,176,206)(H,177,214)(H,178,211)(H,179,202)(H,180,216)(H,181,217)(H,198,199)(H4,146,147,150)/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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545n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50307252
PNG
(CHEMBL578710 | WTLNSAGYLL-CONH2)
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(N)=O |r|
Show InChI InChI=1S/C54H81N13O14/c1-26(2)17-37(46(57)73)62-49(76)38(18-27(3)4)63-51(78)40(20-31-13-15-33(70)16-14-31)61-44(72)24-59-47(74)29(7)60-53(80)42(25-68)66-52(79)41(22-43(56)71)64-50(77)39(19-28(5)6)65-54(81)45(30(8)69)67-48(75)35(55)21-32-23-58-36-12-10-9-11-34(32)36/h9-16,23,26-30,35,37-42,45,58,68-70H,17-22,24-25,55H2,1-8H3,(H2,56,71)(H2,57,73)(H,59,74)(H,60,80)(H,61,72)(H,62,76)(H,63,78)(H,64,77)(H,65,81)(H,66,79)(H,67,75)/t29-,30+,35-,37-,38-,39-,40-,41-,42-,45-/m0/s1
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870n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50423646
PNG
(CHEMBL2309599 | Galnon)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc34)ccc12 |r|
Show InChI InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48)/t34-,35+/m1/s1
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1.17E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM50423646
PNG
(CHEMBL2309599 | Galnon)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc34)ccc12 |r|
Show InChI InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48)/t34-,35+/m1/s1
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3.41E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to rat GalR2


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50415433
PNG
(CHEMBL1187471)
Show SMILES COC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc1oc2C)C(=O)NCC1CCCCC1)C(=O)NC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C51H60N10O11/c1-26-36-41(64)61-51(6,45(68)55-38-32-21-13-11-19-30(32)31-20-12-14-22-33(31)38)48-58-37(28(3)72-48)40(63)60-50(5,44(67)54-34(42(65)69-7)23-15-16-24-52)47-57-35(27(2)71-47)39(62)59-49(4,46(56-36)70-26)43(66)53-25-29-17-9-8-10-18-29/h11-14,19-22,29,34,38H,8-10,15-18,23-25,52H2,1-7H3,(H,53,66)(H,54,67)(H,55,68)(H,59,62)(H,60,63)(H,61,64)/t34-,49-,50-,51-/m0/s1
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3.42E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM50415433
PNG
(CHEMBL1187471)
Show SMILES COC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc1oc2C)C(=O)NCC1CCCCC1)C(=O)NC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C51H60N10O11/c1-26-36-41(64)61-51(6,45(68)55-38-32-21-13-11-19-30(32)31-20-12-14-22-33(31)38)48-58-37(28(3)72-48)40(63)60-50(5,44(67)54-34(42(65)69-7)23-15-16-24-52)47-57-35(27(2)71-47)39(62)59-49(4,46(56-36)70-26)43(66)53-25-29-17-9-8-10-18-29/h11-14,19-22,29,34,38H,8-10,15-18,23-25,52H2,1-7H3,(H,53,66)(H,54,67)(H,55,68)(H,59,62)(H,60,63)(H,61,64)/t34-,49-,50-,51-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to rat GalR2


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair