BDBM31768 CHEMBL295698::Ketoconazole::Nizoral::Panfungol

SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=XMAYWYJOQHXEEK-ZEQKJWHPSA-N

Data  15 KI  133 IC50  6 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 31768   

TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of human aldosterone synthase expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  650nMAssay Description:Inhibition of human aldosterone synthase expressed in V79 MZ cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  67nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  67nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detectorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  67nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZh cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed