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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 = 'BDBM50307259'   
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))
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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Similars

Article
PubMed
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