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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 = 'BDBM50473826'   
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))		BDBM50473826
PNG
(CHEMBL116855 | MEN-11715)
Show SMILES Clc1ccc(C[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[C@H](NC2=O)C(=O)OCC=C)cc1Cl
Show InChI InChI=1S/C36H35Cl2N5O6/c1-2-14-49-36(48)31-19-32(44)40-30(18-23-20-39-27-11-7-6-10-24(23)27)35(47)41-28(16-21-8-4-3-5-9-21)33(45)42-29(34(46)43-31)17-22-12-13-25(37)26(38)15-22/h2-13,15,20,28-31,39H,1,14,16-19H2,(H,40,44)(H,41,47)(H,42,45)(H,43,46)/t28-,29+,30-,31-/m0/s1
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 316n/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