BDBM18525 Bicalutamide::CHEMBL409::N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide::US11046713, Example Bicalutamide::US20230382870, Bicalutumide::US9126941, Bicalutamide::US9682960, CAS

SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

InChI Key InChIKey=LKJPYSCBVHEWIU-UHFFFAOYSA-N

Data  25 KI  70 IC50  7 EC50

PDB links: 10 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 99 hits for monomerid = 18525   

TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  11nMAssay Description:Binding affinity to Androgen receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
Astellas Pharma

LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  14nMAssay Description:The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  19nMAssay Description:The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  35nMAssay Description:Binding affinity for mutant T877A Androgen receptor in human LNCaP cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  35nMAssay Description:Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  40nMAssay Description:Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  64nMAssay Description:Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  64nMAssay Description:Binding affinity for androgen receptor in human MDA-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  64nMAssay Description:Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysisMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  64nMAssay Description:Displacement of [3H]DHT from human androgen receptor in MDA453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  64nMAssay Description:Displacement of [3H]DHT from AR in human MDA-MB-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  65nMAssay Description:Displacement of [3H]-DHT from androgen receptor of human MDA-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  70nM ΔG°:  -10.1kcal/mole IC50:  128nMpH: 7.4 T: 2°CAssay Description:The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  82nMAssay Description:Binding affinity against Androgen receptor transfected into COS cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  117nMAssay Description:Binding affinity for human androgen receptor transfected into mammalian COS-1 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  117nMAssay 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))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  151nM IC50:  162nMAssay Description:The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  151nMAssay Description:Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  151nMAssay Description:Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  160nMAssay Description:Antagonist activity at androgen receptor (unknown origin)More data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
Astellas Pharma

LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  330nMAssay 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(Rattus norvegicus (Rat))
Astellas Pharma

LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  509nMAssay Description:Inhibition of [3H] MIB binding to rat prostate androgen receptor LBD by competitive binding assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  1.25E+3nMAssay Description:Reagents and instruments: radiolabeled dihydrotestosterone (DHT-d3) and unlabelled dihydrotestosterone (DHT) purchased from Sigma-Aldrich (St. Louis,...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  2.46E+3nM IC50:  3.69E+3nMAssay Description:A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...More data for this Ligand-Target Pair
TargetProgesterone receptor(Rattus norvegicus)
Astellas Pharma

LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataKi:  7.20E+3nMAssay Description:The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  890nMpH: 7.8Assay Description:Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  1.20E+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
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  889nMAssay Description:The compounds were subjected to tests using an artificial AR response reporter system in a hormone refractory prostate cancer cell line. In this syst...More data for this Ligand-Target Pair
TargetEstrogen receptor(RAT)
Kaken Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50: >1.00E+6nMAssay Description:Displacement of [3H]E2 from estrogen receptor in JW rabbit uterus after 2 hrs by liquid scintillation countingChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Mus musculus)
Endorecherche

US Patent
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  190nMpH: 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))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  117nMAssay Description:In vitro binding affinity at human androgen receptor transfected into COS cells.More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  157nMAssay 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))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  140nMAssay 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))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  338nMAssay 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))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  400nMAssay Description:Inhibition of mutant T877A Androgen receptor in human LNCaP cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  725nMAssay Description:Inhibition of androgen dependent human prostate cancer cell MDA-MB-PCa2b proliferationMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  173nMAssay Description:Inhibition of androgen receptor in human MDA-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  400nMAssay Description:Inhibition of T877A androgen receptor of human prostate cancer cells in reporter gene assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  725nMAssay Description:Inhibition of L701H/T877A mutant androgen receptor of human prostate cancer MDAMB-PCa2b cell proliferationMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  170nMAssay Description:In vitro antagonistic activity against androgen receptor of MDA-453 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  400nMAssay Description:In vitro antagonistic activity against mutant androgen receptor of LNCap cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  86.9nMAssay Description:Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  87nMAssay Description:Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibitionMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataEC50:  971nMAssay Description:Displacement of [3H]R1881 from androgen receptor in human LNCAP cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataEC50:  4.30E+3nMAssay Description:Displacement of [3H]R1881 from androgen receptor in human PC3 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  200nMAssay Description:Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  173nMAssay Description:Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of DHT-induced PSA expression by alkaline phosphatase repor...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(RAT)
Kaken Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  3.20E+5nMAssay Description:Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(RAT)
Kaken Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50: >1.00E+6nMAssay Description:Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Rattus norvegicus (Rat))
Astellas Pharma

LigandPNGBDBM18525(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Affinity DataIC50:  54nMAssay Description:Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation countingMore data for this Ligand-Target Pair
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