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BDBM50473819 CHEMBL326790::MEN-11532

SMILES: O=C1CC(CC2CC=CC=C2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1

InChI Key: InChIKey=YOCGNPYHXNLXOS-XHTFCQHCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473819   
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))		BDBM50473819
PNG
(CHEMBL326790 | MEN-11532)
Show SMILES O=C1CC(CC2CC=CC=C2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1 |c:7,9|
Show InChI InChI=1S/C33H37N5O4/c39-30-20-24(17-22-9-3-1-4-10-22)31(40)37-29(19-25-21-36-27-14-8-7-13-26(25)27)33(42)38-28(32(41)35-16-15-34-30)18-23-11-5-2-6-12-23/h1-9,11-14,21-22,24,28-29,36H,10,15-20H2,(H,34,39)(H,35,41)(H,37,40)(H,38,42)/t22?,24?,28-,29-/m0/s1
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PC cid
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UniChem
Article
PubMed
 631n/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