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BDBM50473833 CHEMBL420859::MEN-11830

SMILES: O=C1C[C@H](NCc2nn[nH]n2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1

InChI Key: InChIKey=GBUQWNAGAFHSPN-NYMHPOLGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473833   
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))		BDBM50473833
PNG
(CHEMBL420859 | MEN-11830)
Show SMILES O=C1C[C@H](NCc2nn[nH]n2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Show InChI InChI=1S/C35H38N10O4/c46-32-18-28(37-21-31-42-44-45-43-31)33(47)38-20-25(15-22-9-3-1-4-10-22)39-34(48)29(16-23-11-5-2-6-12-23)41-35(49)30(40-32)17-24-19-36-27-14-8-7-13-26(24)27/h1-14,19,25,28-30,36-37H,15-18,20-21H2,(H,38,47)(H,39,48)(H,40,46)(H,41,49)(H,42,43,44,45)/t25-,28+,29+,30+/m1/s1
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PC cid
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Article
PubMed
 1.60n/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