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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50071476'   
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-P receptor


(Homo sapiens (Human))		BDBM50071476
PNG
(1'N-[2-(1H-3-indolyl)-1-phenethylcarbamoyl-(1S)-et...)
Show SMILES O=C(NCCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C33H36N4O2/c38-31(34-19-15-24-8-2-1-3-9-24)30(22-26-23-35-29-13-7-5-11-27(26)29)36-32(39)37-20-17-33(18-21-37)16-14-25-10-4-6-12-28(25)33/h1-13,23,30,35H,14-22H2,(H,34,38)(H,36,39)/t30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK1 (Neurokinin 1) 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