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BDBM50473821 CHEMBL114068::MEN-11986

SMILES: NC(=N)NCC(=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=DDJMTKCVODXDPP-NYMHPOLGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473821   
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))		BDBM50473821
PNG
(CHEMBL114068 | MEN-11986)
Show SMILES NC(=N)NCC(=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/C36H41N9O5/c37-36(38)41-21-32(47)44-30-18-31(46)43-29(17-24-19-39-27-14-8-7-13-26(24)27)35(50)45-28(16-23-11-5-2-6-12-23)34(49)42-25(20-40-33(30)48)15-22-9-3-1-4-10-22/h1-14,19,25,28-30,39H,15-18,20-21H2,(H,40,48)(H,42,49)(H,43,46)(H,44,47)(H,45,50)(H4,37,38,41)/t25-,28+,29+,30+/m1/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