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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50071479'   
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
Substance-K receptor


(Homo sapiens (Human))		BDBM50071479
PNG
(1'N-[1-benzyl(methyl)carbamoyl-3-phenyl-(1S)-propy...)
Show SMILES CSN1CC2(CCN(CC2)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C32H38N4O2S/c1-34(23-26-13-7-4-8-14-26)30(37)28(18-17-25-11-5-3-6-12-25)33-31(38)35-21-19-32(20-22-35)24-36(39-2)29-16-10-9-15-27(29)32/h3-16,28H,17-24H2,1-2H3,(H,33,38)/t28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined

Bioorg Med Chem Lett 8: 2259-62 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair