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BDBM50473830 CHEMBL323677::MEN-11703

SMILES: O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)CN1

InChI Key: InChIKey=QFIJWBZFAOLCKZ-IUNZSJPTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473830   
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))		BDBM50473830
PNG
(CHEMBL323677 | MEN-11703)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)CN1
Show InChI InChI=1S/C35H36N6O4/c42-32-14-15-33(43)40-31(18-24-20-37-29-13-7-5-11-27(24)29)35(45)41-30(16-22-8-2-1-3-9-22)34(44)39-25(21-38-32)17-23-19-36-28-12-6-4-10-26(23)28/h1-13,19-20,25,30-31,36-37H,14-18,21H2,(H,38,42)(H,39,44)(H,40,43)(H,41,45)/t25-,30+,31+/m1/s1
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PC cid
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Article
PubMed
 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