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BDBM50473839 CHEMBL116871::MEN-11987

SMILES: O=C(Cn1cnnn1)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)NC1=O

InChI Key: InChIKey=XDBWTWZUGZCVER-KRCBVYEFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473839   
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))		BDBM50473839
PNG
(CHEMBL116871 | MEN-11987)
Show SMILES O=C(Cn1cnnn1)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C35H36N10O5/c46-31-18-29(39-32(47)20-45-21-37-43-44-45)35(50)42-30(16-23-11-5-2-6-12-23)41-34(49)27(15-22-9-3-1-4-10-22)40-33(48)28(38-31)17-24-19-36-26-14-8-7-13-25(24)26/h1-14,19,21,27-30,36H,15-18,20H2,(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50)/t27-,28-,29-,30-/m0/s1
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 4n/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