null

SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key InChIKey=YPQLFJODEKMJEF-UHFFFAOYSA-N

PDB links: 8 PDB IDs match this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 35909   

TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Binding affinity for mutant T877A Androgen receptor in human LNCaP cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  27nMAssay Description:Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  34nMAssay Description:Inhibitory concentration against human androgen receptor (AR) dependent transcriptional activity in cotransfected mammalian CV-1 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  43nMAssay Description:Displacement of [3H]DHT from human androgen receptor in MDA453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  43nMAssay Description:Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  43nMAssay Description:Binding affinity for androgen receptor in human MDA-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  430nMAssay Description:Displacement of [3H]testosterone from wild type human androgen receptorMore data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataKi:  2.10E+3nMAssay Description:In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 7.69E+3nMAssay Description:Displacement of [3H]-DHT from human GST fused AR-LBD (627 to 919 amino acids) transfected in Escherichia coli HB 101 after 15 hrs by liquid scintilla...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 67nMAssay Description:Antagonist activity at human androgen receptor expressed in mouse NIH3T3 cells assessed as inhibition of DHT-induced transcriptional activation after...More data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Ligand Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 2.01E+3nMAssay Description:Antagonistic activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CZ6PubMed
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 224nMAssay Description:Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosphatase reporter gene assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 31nMAssay Description:Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 7.10E+3nMAssay Description:Displacement of [3H]-DHT from human GST-tagged androgen receptor LBD (627 to 919) expressed in Escherichia coli HB-101 after 15 hrs by liquid scintil...More data for this Ligand-Target Pair
TargetAndrogen receptor(Mus musculus)
Tokyo Medical and Dental University

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 370nMAssay Description:Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Mus musculus)
Tokyo Medical and Dental University

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Antagonist activity at androgen receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferas...More data for this Ligand-Target Pair
TargetAndrogen receptor(Mus musculus)
Tokyo Medical and Dental University

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 52nMAssay Description:In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:Inhibition of human androgen receptor of breast carcinoma MDA-453 cells in reporter gene assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 350nMAssay Description:Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 31nMAssay Description:Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:Inhibition of androgen receptor in human MDA-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Inhibitory concentration against human androgen receptor (AR) dependent transcriptional activity in cotransfected mammalian CV-1 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Mus musculus)
Tokyo Medical and Dental University

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 67nMpH: 7.4 T: 2°CAssay Description:Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 230nMAssay Description:Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+4nMpH: 7.2 T: 2°CAssay Description:A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...More data for this Ligand-Target Pair
TargetProtein LANA1(Human herpesvirus 8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI
Affinity DataEC50: >7.50E+4nMAssay Description:Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2HH6HHNPCBioAssay