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BDBM50473838 CHEMBL116629::MEN-11708

SMILES: O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC2=CC=CCC2)C(=O)N[C@H](CCc2ccccc2)CN1

InChI Key: InChIKey=WDFGIQLGAOHWCE-POLDFPFKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473838   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neurokinin 2 receptor


(Homo sapiens (Human))		BDBM50473838
PNG
(CHEMBL116629 | MEN-11708)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC2=CC=CCC2)C(=O)N[C@H](CCc2ccccc2)CN1 |c:27,t:25|
Show InChI InChI=1S/C34H39N5O4/c40-31-17-18-32(41)38-30(20-25-21-35-28-14-8-7-13-27(25)28)34(43)39-29(19-24-11-5-2-6-12-24)33(42)37-26(22-36-31)16-15-23-9-3-1-4-10-23/h1-5,7-11,13-14,21,26,29-30,35H,6,12,15-20,22H2,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t26-,29+,30+/m1/s1
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 10n/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