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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galanin receptor type 1' and Ligand = 'BDBM50273364'   
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
Galanin receptor type 1


(Homo sapiens (Human))		BDBM50273364
PNG
((S)-2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S)-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=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(N)=O |r|
Show InChI InChI=1S/C99H167N23O21/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-40-82(127)106-48-33-29-39-73(91(135)114-70(87(104)131)36-26-30-45-100)116-92(136)72(38-28-32-47-102)115-90(134)71(37-27-31-46-101)111-84(129)58-109-89(133)74(49-60(2)3)117-93(137)75(50-61(4)5)118-95(139)77(52-65-41-43-67(125)44-42-65)112-85(130)57-108-88(132)63(8)110-98(142)80(59-123)121-96(140)79(54-81(103)126)119-94(138)76(51-62(6)7)120-99(143)86(64(9)124)122-97(141)78(113-83(128)56-105-10)53-66-55-107-69-35-25-24-34-68(66)69/h24-25,34-35,41-44,55,60-64,70-80,86,105,107,123-125H,11-23,26-33,36-40,45-54,56-59,100-102H2,1-10H3,(H2,103,126)(H2,104,131)(H,106,127)(H,108,132)(H,109,133)(H,110,142)(H,111,129)(H,112,130)(H,113,128)(H,114,135)(H,115,134)(H,116,136)(H,117,137)(H,118,139)(H,119,138)(H,120,143)(H,121,140)(H,122,141)/t63-,64+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,86-/m0/s1
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Similars
Article
PubMed
 26n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells

J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair