null
SMILES: CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
InChI Key: InChIKey=MKXKFYHWDHIYRV-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Arylacetamide deacetylase (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University Curated by ChEMBL | Assay Description Inhibition of AADAC in human kidney microsome | Drug Metab Dispos 40: 671-9 (2012) Article DOI: 10.1124/dmd.111.043067 BindingDB Entry DOI: 10.7270/Q2H133RV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Binding affinity against GST-hARLBD was measured in SC-3 cell by using [3H]-testosterone as radioligand | Bioorg Med Chem Lett 13: 2655-8 (2003) BindingDB Entry DOI: 10.7270/Q26D5SDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cocaine esterase (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University Curated by ChEMBL | Assay Description Inhibition of human recombinant CES2 assessed as compound hydrolysis | Drug Metab Dispos 40: 1080-4 (2012) Article DOI: 10.1124/dmd.112.044537 BindingDB Entry DOI: 10.7270/Q2B56MGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Displacement of [3H]testosterone from wild type human androgen receptor | Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arylacetamide deacetylase (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University Curated by ChEMBL | Assay Description Inhibition of AADAC in human jejunum microsome | Drug Metab Dispos 40: 671-9 (2012) Article DOI: 10.1124/dmd.111.043067 BindingDB Entry DOI: 10.7270/Q2H133RV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Meijo University Curated by ChEMBL | Assay Description Antagonist activity at AR in human MDA-kb2 cells cotransfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene... | Bioorg Med Chem Lett 20: 2111-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.059 BindingDB Entry DOI: 10.7270/Q25D8S0V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Leipzig Curated by ChEMBL | Assay Description Antagonist activity at human androgen receptor expressed in human CV1 cells assessed as inhibition of receptor-mediated transactivation by MMTV-lucif... | Bioorg Med Chem 18: 6960-9 (2010) Article DOI: 10.1016/j.bmc.2010.08.029 BindingDB Entry DOI: 10.7270/Q2WW7HW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado Curated by ChEMBL | Assay Description Inhibition of 1.0 nM [3H]mibolerone binding to human androgen receptor of PC3/AR cell lysate | J Med Chem 46: 5258-70 (2003) Article DOI: 10.1021/jm0303305 BindingDB Entry DOI: 10.7270/Q27D2VV7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-... | Hepatology 60: 1015-22 (2014) Article DOI: 10.1002/hep.27206 BindingDB Entry DOI: 10.7270/Q2TF00N2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of BSEP in human hepatocytes assessed as reduction in biliary excretion of [3H]-taurocholate in cell lysates after 15 mins by liquid scint... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Antagonist activity at human androgen receptor expressed in mouse NIH3T3 cells assessed as inhibition of DHT-induced transcriptional activation after... | Bioorg Med Chem 16: 8022-8 (2008) Article DOI: 10.1016/j.bmc.2008.07.055 BindingDB Entry DOI: 10.7270/Q2D50MST | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen... | Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Rattus norvegicus) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado Curated by ChEMBL | Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate | J Med Chem 47: 5690-9 (2004) Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG | |||||||||||
More data for this Ligand-Target Pair |