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BDBM50184170 3,3'-difluoro-4'-{[5-(4-prop-2-ynyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester::CHEMBL207000

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

InChI Key: InChIKey=BIBKOTINIYREPN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184170   
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))
BDBM50184170
PNG
(3,3'-difluoro-4'-{[5-(4-prop-2-ynyl-piperazine-1-c...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC#C)CC2)c(F)c1
Show InChI InChI=1S/C28H26F2N4O3/c1-3-11-33-12-14-34(15-13-33)27(35)21-9-10-25(32-18-21)31-17-20-8-7-19(16-24(20)30)22-5-4-6-23(29)26(22)28(36)37-2/h1,4-10,16,18H,11-15,17H2,2H3,(H,31,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/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