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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 = 'BDBM50473827'   
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))		BDBM50473827
PNG
(CHEMBL323836 | MEN-11668)
Show SMILES COc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC3=CC=CCC3)C(=O)N2)cc1 |c:37,t:35|
Show InChI InChI=1S/C34H39N5O5/c1-44-26-13-11-23(12-14-26)17-25-21-36-31(40)15-16-32(41)38-30(19-24-20-35-28-10-6-5-9-27(24)28)34(43)39-29(33(42)37-25)18-22-7-3-2-4-8-22/h2-3,5-7,9-14,20,25,29-30,35H,4,8,15-19,21H2,1H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t25-,29+,30+/m1/s1
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 13n/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