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BDBM50184185 3-chloro-3'-fluoro-4'-[(4-piperidin-1-ylmethyl-pyridin-2-ylamino)-methyl]-biphenyl-2-carboxylic acid methyl ester::CHEMBL377440

SMILES: COC(=O)c1c(Cl)cccc1-c1ccc(CNc2cc(CN3CCCCC3)ccn2)c(F)c1

InChI Key: InChIKey=FQRSFCOCYJWHNX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184185   
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))
BDBM50184185
PNG
(3-chloro-3'-fluoro-4'-[(4-piperidin-1-ylmethyl-pyr...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(CNc2cc(CN3CCCCC3)ccn2)c(F)c1
Show InChI InChI=1S/C26H27ClFN3O2/c1-33-26(32)25-21(6-5-7-22(25)27)19-8-9-20(23(28)15-19)16-30-24-14-18(10-11-29-24)17-31-12-3-2-4-13-31/h5-11,14-15H,2-4,12-13,16-17H2,1H3,(H,29,30)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
611n/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