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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50322314'   
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
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322314
PNG
(CHEMBL1171797 | rac-N-[3-Cyano-4-(3-{[3-(diethylam...)
Show SMILES CCC(CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O)N(CC)CC
Show InChI InChI=1S/C32H32FN5O4/c1-4-23(38(5-2)6-3)17-30(40)35-22-10-7-9-20(15-22)25-18-27(24-13-12-21(33)16-28(24)39)36-31(26(25)19-34)37-32(41)29-11-8-14-42-29/h7-16,18,23,39H,4-6,17H2,1-3H3,(H,35,40)(H,36,37,41)
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n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair