Compile Data Set for Download or QSAR
maximum 50k data
Found 48 of ic50 for monomerid = 25458
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  2nMAssay Description:Inhibition of human recombinant CYP17A1 incubated for 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  2.90nMAssay Description:Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  4nMAssay Description:Inhibition of human progesterone 17-alpha-hydroxylase.More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  4nMAssay Description:Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%.More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  4.90nMAssay Description:Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli DH5alpha assessed as decrease in progester...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  9.40nMAssay Description:Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli JM109 cells assessed as decrease in proges...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University Of Szeged

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  13nMAssay Description:Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University Of Szeged

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  13nMAssay Description:Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University Of Szeged

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  25nMAssay Description:Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  29nMpH: 7.4Assay Description:The inhibition of CYP17A1 by the test compounds was evaluated using a recombinant enzyme. Human CYP17A1 was expressed in E. coli (Ehmer, P. B. et al....More data for this Ligand-Target Pair
TargetSteroid 21-hydroxylase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  32nMAssay Description:Inhibition of C-terminal His-tagged recombinant human CYP21A2deltaH mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesteron...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  36nMAssay Description:Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  48nMAssay Description:Inhibition of CYP17 (unknown origin)More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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 using 1,2[3H]-progesterone as substrate in presence of NADPHMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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 using progesterone substrateMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
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-expressing rat NADPH-P450-reductase using progesterone as substrateMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  130nMAssay Description:Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University Of Szeged

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
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  230nMAssay Description:Inhibition of C-terminal His-tagged recombinant human CYP3A4 assessed as decrease in metabolism of luciferin isopropyl alcohol preincubated for 3 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSteroid 21-hydroxylase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  296nMAssay Description:Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  800nMAssay Description:In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  800nMAssay Description:In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escheric...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Shanghai Institute Of Materia Medica

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  800nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coliMore 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: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 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 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 cells using [1,2-3H]-11-deoxycorticosterone as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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

Curated by ChEMBL
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
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
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 cells using [1,2-3H]-11-deoxycorticosterone as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
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))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human hepatic CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
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

TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
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 3A4(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
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

TargetAromatase(Homo sapiens (Human))
University Of Bologna

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of human placental CYP19 using [1beta-3H]androstenedione as substrate by 3H2O-methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
University Of Bologna

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
University Of Bologna

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
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25458((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed