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BDBM50126253 2-[5-(4-Cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide::CHEMBL281756

SMILES: CN(C(=O)Cc1ccc(C(=O)c2ccc(cc2)C#N)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl

InChI Key: InChIKey=XDSJSAQKNVFGCS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126253   
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))		BDBM50126253
PNG
(2-[5-(4-Cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-...)
Show SMILES CN(C(=O)Cc1ccc(C(=O)c2ccc(cc2)C#N)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C33H26Cl2N4O3/c1-20-7-10-22-5-4-6-29(32(22)37-20)42-19-25-26(34)14-16-27(31(25)35)39(3)30(40)17-24-13-15-28(38(24)2)33(41)23-11-8-21(18-36)9-12-23/h4-16H,17,19H2,1-3H3
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PubMed
 23n/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