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BDBM50126260 2-[5-(4-Cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide::CHEMBL25745

SMILES: CN(C(=O)Cc1ccc(C(=O)c2ccc(cc2)C#N)n1C)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C

InChI Key: InChIKey=IRPZCWKKOLPGGP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126260   
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))		BDBM50126260
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(C)c(COc2cccc3ccc(C)nc23)c1C
Show InChI InChI=1S/C35H32N4O3/c1-22-9-17-30(24(3)29(22)21-42-32-8-6-7-26-13-10-23(2)37-34(26)32)39(5)33(40)19-28-16-18-31(38(28)4)35(41)27-14-11-25(20-36)12-15-27/h6-18H,19,21H2,1-5H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 69n/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