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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50099642'   
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
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50099642
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)C(C)NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H38N4O/c1-20(2)22(5)30-29(34)27-24-13-9-10-14-26(24)31-28(23-11-7-6-8-12-23)25(27)19-32-15-17-33(18-16-32)21(3)4/h6-14,20-22H,15-19H2,1-5H3,(H,30,34)
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PubMed
 454n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes

J Med Chem 44: 1675-89 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair