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 15 hits for monomerid = 31768   

TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Syntex Discovery Research

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  25nMAssay Description:Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  33nMAssay Description:Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  35nMAssay Description:Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  38nMAssay Description:Inhibition of human CYP17 using 17alpha-hydroxypregnenolone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  38nMAssay Description:Binding affinity for Cytochrome P450 17A1 (17-alpha-hydroxypregnenolone Km=560 nM)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial(Mus musculus)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  58nMAssay Description:Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial(Mus musculus)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  58nMAssay Description:Inhibition of mouse CYP27B1 by cell-free assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Syntex Discovery Research

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  64nMAssay Description:Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Rattus norvegicus)
Syntex Discovery Research

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  65nMAssay Description:Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  398nMAssay Description:Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  400nMAssay Description:Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  1.20E+3nMAssay Description:High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity modelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  5.27E+3nMAssay Description:TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  2.49E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataKi:  6.50E+4nMAssay Description:Binding affinity was measured on Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed