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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 = 'BDBM50473836'   
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))		BDBM50473836
PNG
(CHEMBL324313 | MEN-11701)
Show SMILES Fc1ccc2NCC(C[C@@H]3NC(=O)CCC(=O)NC[C@@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC3=O)c2c1
Show InChI InChI=1S/C33H36FN5O4/c34-24-11-12-27-26(18-24)23(19-35-27)17-29-33(43)39-28(16-22-9-5-2-6-10-22)32(42)37-25(15-21-7-3-1-4-8-21)20-36-30(40)13-14-31(41)38-29/h1-12,18,23,25,28-29,35H,13-17,19-20H2,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t23?,25-,28+,29+/m1/s1
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Article
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 3.20n/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