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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 = 'BDBM50473820'   
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))		BDBM50473820
PNG
(CHEMBL117039 | MEN-11716)
Show SMILES OC(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1
Show InChI InChI=1S/C33H31Cl2N5O6/c34-22-11-10-19(12-23(22)35)14-26-31(43)40-28(33(45)46)16-29(41)37-27(15-20-17-36-24-9-5-4-8-21(20)24)32(44)38-25(30(42)39-26)13-18-6-2-1-3-7-18/h1-12,17,25-28,36H,13-16H2,(H,37,41)(H,38,44)(H,39,42)(H,40,43)(H,45,46)/t25-,26+,27-,28-/m0/s1
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 398n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments

J Med Chem 45: 3418-29 (2002)


Article DOI: 10.1021/jm011127h
BindingDB Entry DOI: 10.7270/Q2765J28
More data for this
Ligand-Target Pair