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BDBM50126246 2-[5-(6-Cyano-pyridine-3-carbonyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide::CHEMBL26847

SMILES: CN(C(=O)Cc1ccc(C(=O)c2ccc(nc2)C#N)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl

InChI Key: InChIKey=DMHZOSVTCZAJGP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126246   
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
BDKRB2


(Homo sapiens (Human))		BDBM50126246
PNG
(2-[5-(6-Cyano-pyridine-3-carbonyl)-1-methyl-1H-pyr...)
Show SMILES CN(C(=O)Cc1ccc(C(=O)c2ccc(nc2)C#N)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C32H25Cl2N5O3/c1-19-7-8-20-5-4-6-28(31(20)37-19)42-18-24-25(33)12-14-26(30(24)34)39(3)29(40)15-23-11-13-27(38(23)2)32(41)21-9-10-22(16-35)36-17-21/h4-14,17H,15,18H2,1-3H3
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 74n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human bradykinin receptor B2

Bioorg Med Chem Lett 13: 1341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57T1
More data for this
Ligand-Target Pair