BDBM25458 (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-ol::ABT::Abiraterone::CB 7598::CHEMBL254328::US9487554, Abiraterone::US9611270, Example 5, abiraterone

SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C

InChI Key InChIKey=GZOSMCIZMLWJML-VJLLXTKPSA-N

Data  48 IC50

PDB links: 6 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 25458   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  72nMpH: 7.4 T: 2°CAssay Description:The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...More data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  1.75E+3nMAssay Description:The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  2.70E+3nMAssay Description:To measure CYP3A4 activity, the product of testosterone 6-hydroxylation, 6beta-hydroxytestosterone was determined. After incubation, the reaction was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  1.61E+3nMAssay Description:The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  72nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  72nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductaseMore data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  1.61E+3nMAssay Description:Inhibition of recombinant CYP11B1 expressed in expressed in V79MZh11B1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of recombinant CYP3A4 expressed in baculovirus-infected insect microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  72nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductaseMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  72nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  72nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductaseMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
Saarland University

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  220nMAssay Description:Inhibition of Sprague-Dawley rat testicular CYP17More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  72nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductaseMore data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  1.61E+3nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZh cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  1.75E+3nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZh cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP19 in human placental microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Saarland University

LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of CYP3A4 expressed in baculovirus infected insect microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank