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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial' and Ligand = 'BDBM50334189'   
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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50334189
PNG
(4-Cyano-N-(pyridin-3-yl)benzamide | CHEMBL1645412)
Show SMILES O=C(Nc1cccnc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C13H9N3O/c14-8-10-3-5-11(6-4-10)13(17)16-12-2-1-7-15-9-12/h1-7,9H,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycortisol as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50334189
PNG
(4-Cyano-N-(pyridin-3-yl)benzamide | CHEMBL1645412)
Show SMILES O=C(Nc1cccnc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C13H9N3O/c14-8-10-3-5-11(6-4-10)13(17)16-12-2-1-7-15-9-12/h1-7,9H,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+3n/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