BDBM10015 2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile::2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile::ANASTROZOLE::CHEMBL1399::NSC719344::arimidex

SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N

InChI Key InChIKey=YBBLVLTVTVSKRW-UHFFFAOYSA-N

Data  1 KI  16 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 10015   

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataKi:  0.130nMAssay Description:Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  8nMAssay Description:Inhibition of aromatase in human breast tumorMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  8nMAssay Description:Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetUDP-glucuronosyltransferase 1A4(Homo sapiens (Human))
University Of Arkansas For Medical Sciences

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  4.72E+3nMAssay Description:Drug metabolism assessed as hecogenin-mediated inhibition of human recombinant UGT1A4-catalyzed anastrozole glucuronidation after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  10nMAssay Description:Inhibition of aromatase in human placental microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  3.60nMAssay Description:Inhibition of aromatase (unknown origin) transfected in human MCF7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of aromatse in human JEG3 cells by scintillation spectrometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  12nMAssay Description:Inhibition of aromataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
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
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
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 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
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
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
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
TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  600nMpH: 7.4 T: 2°CAssay Description:The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM10015(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Affinity DataIC50:  600nMT: 2°CAssay Description:The classical 3H2O assay was used to measure the effect of the inhibitor compounds on aromatase activity using human placental microsomes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank