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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 282.2
BDBM380977

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

Found 1 hit 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))
BDBM380977
PNG
(2-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2-c1ccc2C(=O)CCc2n1
Show InChI InChI=1S/C16H14N2O3/c19-15-4-3-13-9(15)1-2-14(18-13)10-5-17-6-11-12(10)7-21-8-16(11)20/h1-2,5-6,16,20H,3-4,7-8H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair