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BDBM50184188 3,3'-difluoro-4'-{[5-(4-isopropyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester::CHEMBL437704

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

InChI Key: InChIKey=QJARRGSTUXWHHZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184188   
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))
BDBM50184188
PNG
(3,3'-difluoro-4'-{[5-(4-isopropyl-piperazine-1-car...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)C(C)C)c(F)c1
Show InChI InChI=1S/C28H30F2N4O3/c1-18(2)33-11-13-34(14-12-33)27(35)21-9-10-25(32-17-21)31-16-20-8-7-19(15-24(20)30)22-5-4-6-23(29)26(22)28(36)37-3/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,31,32)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/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