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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 = 'BDBM50071475'   
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))		BDBM50071475
PNG
(1'N-[1-benzyl(methyl)carbamoyl-2-(1H-3-indolyl)-(1...)
Show SMILES CSN1CC2(CCN(CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C33H37N5O2S/c1-36(22-24-10-4-3-5-11-24)31(39)29(20-25-21-34-28-14-8-6-12-26(25)28)35-32(40)37-18-16-33(17-19-37)23-38(41-2)30-15-9-7-13-27(30)33/h3-15,21,29,34H,16-20,22-23H2,1-2H3,(H,35,40)/t29-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



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