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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 = 'BDBM50273368'   
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))
BDBM50273368
PNG
(CHEMBL506210 | WTLNSAGYLL)
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)=O |r|
Show InChI InChI=1S/C54H80N12O15/c1-26(2)17-37(49(75)64-41(54(80)81)19-28(5)6)61-50(76)39(20-31-13-15-33(69)16-14-31)60-44(71)24-58-46(72)29(7)59-52(78)42(25-67)65-51(77)40(22-43(56)70)62-48(74)38(18-27(3)4)63-53(79)45(30(8)68)66-47(73)35(55)21-32-23-57-36-12-10-9-11-34(32)36/h9-16,23,26-30,35,37-42,45,57,67-69H,17-22,24-25,55H2,1-8H3,(H2,56,70)(H,58,72)(H,59,78)(H,60,71)(H,61,76)(H,62,74)(H,63,79)(H,64,75)(H,65,77)(H,66,73)(H,80,81)/t29-,30+,35-,37-,38-,39-,40-,41-,42-,45-/m0/s1
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Similars

Article
PubMed
n/an/an/a 879n/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


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