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BDBM50126229 3-[5-(6-Chloro-pyridine-3-carbonyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-propionamide::CHEMBL287018

SMILES: CN(C(=O)CCc1ccc(C(=O)c2ccc(Cl)nc2)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl

InChI Key: InChIKey=JRRFAJMJSZLVIL-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126229   
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))		BDBM50126229
PNG
(3-[5-(6-Chloro-pyridine-3-carbonyl)-1-methyl-1H-py...)
Show SMILES CN(C(=O)CCc1ccc(C(=O)c2ccc(Cl)nc2)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C32H27Cl3N4O3/c1-19-7-8-20-5-4-6-27(31(20)37-19)42-18-23-24(33)12-14-25(30(23)35)39(3)29(40)16-11-22-10-13-26(38(22)2)32(41)21-9-15-28(34)36-17-21/h4-10,12-15,17H,11,16,18H2,1-3H3
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 38n/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