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BDBM50126233 2-[5-(4-Acetylamino-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide::CHEMBL282562

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

InChI Key: InChIKey=WRQDBARNTBIKHY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126233   
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))		BDBM50126233
PNG
(2-[5-(4-Acetylamino-benzoyl)-1-methyl-1H-pyrrol-2-...)
Show SMILES CN(C(=O)Cc1ccc(C(=O)c2ccc(NC(C)=O)cc2)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C34H30Cl2N4O4/c1-20-8-9-22-6-5-7-30(33(22)37-20)44-19-26-27(35)15-17-28(32(26)36)40(4)31(42)18-25-14-16-29(39(25)3)34(43)23-10-12-24(13-11-23)38-21(2)41/h5-17H,18-19H2,1-4H3,(H,38,41)
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 57n/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