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BDBM50184205 4'-{[5-((E)-4-but-2-enyl)-piperazine-1-carbonyl]-pyridin-2-ylamino}-methyl)-3,3'-difluoro-biphenyl-2-carboxylic acid methyl ester::CHEMBL207800

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

InChI Key: InChIKey=QERYUECBFPQSHN-ONEGZZNKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184205   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50184205
PNG
(4'-{[5-((E)-4-but-2-enyl)-piperazine-1-carbonyl]-p...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(C\C=C\C)CC2)c(F)c1
Show InChI InChI=1S/C29H30F2N4O3/c1-3-4-12-34-13-15-35(16-14-34)28(36)22-10-11-26(33-19-22)32-18-21-9-8-20(17-25(21)31)23-6-5-7-24(30)27(23)29(37)38-2/h3-11,17,19H,12-16,18H2,1-2H3,(H,32,33)/b4-3+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.30n/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