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BDBM50126230 2-[5-(4-Cyano-benzoyl)-1-(3-methyl-butyl)-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide::CHEMBL26160

SMILES: CC(C)CCn1c(CC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)ccc1C(=O)c1ccc(cc1)C#N

InChI Key: InChIKey=DUGZYCJHILUWIZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126230   
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))		BDBM50126230
PNG
(2-[5-(4-Cyano-benzoyl)-1-(3-methyl-butyl)-1H-pyrro...)
Show SMILES CC(C)CCn1c(CC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)ccc1C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C37H34Cl2N4O3/c1-23(2)18-19-43-28(14-16-32(43)37(45)27-12-9-25(21-40)10-13-27)20-34(44)42(4)31-17-15-30(38)29(35(31)39)22-46-33-7-5-6-26-11-8-24(3)41-36(26)33/h5-17,23H,18-20,22H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 44n/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