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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 = 'BDBM50322313'   
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))		BDBM50322313
PNG
(CHEMBL1170896 | rac-N-[3-Cyano-4-(3-{[3-(ethylamin...)
Show SMILES CCNC(CC)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C30H28FN5O4/c1-3-20(33-4-2)15-28(38)34-21-8-5-7-18(13-21)23-16-25(22-11-10-19(31)14-26(22)37)35-29(24(23)17-32)36-30(39)27-9-6-12-40-27/h5-14,16,20,33,37H,3-4,15H2,1-2H3,(H,34,38)(H,35,36,39)
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n/an/a 8n/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