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BDBM50473832 CHEMBL116969::MEN-11755

SMILES: OC(=O)CCC(=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=TWASNCSXXCVMQQ-DEGSFCBCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473832   
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))		BDBM50473832
PNG
(CHEMBL116969 | MEN-11755)
Show SMILES OC(=O)CCC(=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/C37H40N6O7/c44-32(15-16-34(46)47)41-31-20-33(45)42-30(19-25-21-38-28-14-8-7-13-27(25)28)37(50)43-29(18-24-11-5-2-6-12-24)36(49)40-26(22-39-35(31)48)17-23-9-3-1-4-10-23/h1-14,21,26,29-31,38H,15-20,22H2,(H,39,48)(H,40,49)(H,41,44)(H,42,45)(H,43,50)(H,46,47)/t26-,29+,30+,31+/m1/s1
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 13n/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