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BDBM50184179 4'-{[5-(4-cyclopentyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-3,3'-difluoro-biphenyl-2-carboxylic acid methyl ester::CHEMBL204356

SMILES: COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)C2CCCC2)c(F)c1

InChI Key: InChIKey=ZYFYOPCEMPRIRH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184179   
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
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50184179
PNG
(4'-{[5-(4-cyclopentyl-piperazine-1-carbonyl)-pyrid...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)C2CCCC2)c(F)c1
Show InChI InChI=1S/C30H32F2N4O3/c1-39-30(38)28-24(7-4-8-25(28)31)20-9-10-21(26(32)17-20)18-33-27-12-11-22(19-34-27)29(37)36-15-13-35(14-16-36)23-5-2-3-6-23/h4,7-12,17,19,23H,2-3,5-6,13-16,18H2,1H3,(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human BK1 receptor

Bioorg Med Chem Lett 16: 2791-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.112
BindingDB Entry DOI: 10.7270/Q28915GX
More data for this
Ligand-Target Pair