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BDBM50473837 CHEMBL324532::MEN-11877

SMILES: NCCCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O

InChI Key: InChIKey=LSPYSHWNGFHBOW-QVEYCFQASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473837   
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))		BDBM50473837
PNG
(CHEMBL324532 | MEN-11877)
Show SMILES NCCCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1S/C37H43N7O5/c38-17-9-16-33(45)42-32-21-34(46)43-31(20-26-22-39-29-15-8-7-14-28(26)29)37(49)44-30(19-25-12-5-2-6-13-25)36(48)41-27(23-40-35(32)47)18-24-10-3-1-4-11-24/h1-8,10-15,22,27,30-32,39H,9,16-21,23,38H2,(H,40,47)(H,41,48)(H,42,45)(H,43,46)(H,44,49)/t27-,30+,31+,32+/m1/s1
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Article
PubMed
 7.90n/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