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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.5
BDBM50335373

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))
BDBM50335373
PNG
(1-(3,3,3-Triphenyl-propyl)-1H-benzoimidazole | CHE...)
Show SMILES C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C28H24N2/c1-4-12-23(13-5-1)28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)20-21-30-22-29-26-18-10-11-19-27(26)30/h1-19,22H,20-21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335373
PNG
(1-(3,3,3-Triphenyl-propyl)-1H-benzoimidazole | CHE...)
Show SMILES C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C28H24N2/c1-4-12-23(13-5-1)28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)20-21-30-22-29-26-18-10-11-19-27(26)30/h1-19,22H,20-21H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair