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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.4
BDBM50023768

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))
BDBM50023768
PNG
(CHEMBL3337689)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-16-4-1-7-20(12-16)27(25,26)24-11-3-6-18-13-17(8-9-21(18)24)19-5-2-10-23-15-19/h1-2,4-5,7-10,12-13,15H,3,6,11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50023768
PNG
(CHEMBL3337689)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-16-4-1-7-20(12-16)27(25,26)24-11-3-6-18-13-17(8-9-21(18)24)19-5-2-10-23-15-19/h1-2,4-5,7-10,12-13,15H,3,6,11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair