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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 31768   

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
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
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  3.96E+4nMAssay Description:Inhibition of cytochrome P450 19A1 involved in steroid biosynthesisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  2.60E+3nMAssay Description:Inhibition of CYP19 (unknown origin) using O-benzyl fluorescein benzyl ester substrate preincubated for 10 mins by fluorimetric analysis relative to ...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 DataIC50:  2.40E+3nMAssay Description:Inhibition of CYP19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  900nMAssay Description:Inhibition of human recombinant aromataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by...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 DataIC50:  1.60E+4nMAssay Description:Inhibition of Cytochrome P450 19A1 in Human placental 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 DataIC50:  3.00E+3nMAssay Description:Inhibition of human aromatase by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  800nMAssay Description:Inhibition of human recombinant aromataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  60nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP19 in human placental 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 DataIC50:  1.60E+3nMAssay Description:Inhibition of Cyp19 (unknown origin)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 DataIC50:  1.10E+5nMAssay Description:Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed