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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 216.2
BDBM50334192
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50334192
PNG
(4-Fluoro-N-(pyridin-3-yl)benzamide | CHEMBL1645407)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C12H9FN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Inhibition of human aldosterone synthase expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate


Bioorg Med Chem Lett 21: 186-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.040
BindingDB Entry DOI: 10.7270/Q2TX3FND
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50334192
PNG
(4-Fluoro-N-(pyridin-3-yl)benzamide | CHEMBL1645407)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C12H9FN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.43E+4n/an/an/an/an/an/a



Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Inhibition of human steroid-11beta-hydroxylase expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate


Bioorg Med Chem Lett 21: 186-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.040
BindingDB Entry DOI: 10.7270/Q2TX3FND
More data for this
Ligand-Target Pair