BDBM18678 (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide::(R)-Bicalutamide::CHEMBL63560::US10806720, Compound R-Bicalutamide::US11230523, Compound R-Bicalutamide::US11648234, Compound R-Bicalutamide::US20230382870, (R) Bicalutumide

SMILES C[C@](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  14 KI  13 IC50  1 EC50

  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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 18678   

TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 248nMAssay Description:Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 2.46E+4nMAssay Description:Antagonist activity at androgen receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 248nMAssay Description:Antagonist activity at CMV-tagged full length wild type human AR expressed in HEK293 cells co-transfected with GRE-LUC and CMV-renilla LUC assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetAndrogen receptor [633-919](Human)
University of Tennessee Research Foundation

US Patent
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 248nMAssay Description:Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 350nMAssay Description:Anti-androgenic activity at androgen receptor (unknown origin) expressed in HEK293 cells by BRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 264nMAssay 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
In Depth
Date in BDB:
1/19/2024
Entry Details
Go to US Patent

TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 248nMAssay Description:Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2021
Entry Details
Go to US Patent

TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 248nMAssay Description:Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetAndrogen receptor(Rat)
School of Pharmacy and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 490nMAssay Description:Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole-cell voltage-clamp analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 120nMAssay 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
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 270nMAssay 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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataIC50: 490nMAssay Description:Antagonist activity at GAL4 DBD-fused androgen receptor LBD (unknown origin) transfected in UAS-bla GripTite 293 cells assessed as inhibition of R188...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2017
Entry Details Article
PubMed
TargetAndrogen receptor(Rat)
School of Pharmacy and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  11nM ΔG°:  -10.1kcal/mole EC50:  1.00E+3nMpH: 7.4 T: 2°CAssay Description:The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2007
Entry Details Article
PubMed
TargetAndrogen receptor(Rat)
School of Pharmacy and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  11nM ΔG°:  -10.1kcal/molepH: 7.4 T: 2°CAssay Description:The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2007
Entry Details Article
PubMed
TargetAndrogen receptor(Rat)
School of Pharmacy and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  11nM ΔG°:  -10.1kcal/molepH: 7.4 T: 2°CAssay Description:The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2009
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  11nMAssay Description:Binding affinity to Androgen receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetAndrogen receptor(Rat)
School of Pharmacy and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  11nM ΔG°:  -10.1kcal/molepH: 7.4 T: 2°CAssay Description:The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2007
Entry Details Article
PubMed
TargetAndrogen receptor(Rat)
School of Pharmacy and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  11nMAssay Description:Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed
TargetAndrogen receptor [633-919](Human)
University of Tennessee Research Foundation

US Patent
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  509nMAssay Description:hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2022
Entry Details
Go to US Patent

TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  509nMAssay Description:Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2021
Entry Details
Go to US Patent

TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  509nMAssay Description:Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetAndrogen receptor [633-919](Human)
University of Tennessee Research Foundation

US Patent
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  509nMAssay Description:Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  509nMAssay Description:Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  509nMAssay Description:Displacement of [3H]mibolerone from GST-tagged wild type AR ligand binding domain (unknown origin) incubated for 16 hrs by scintillation counting ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  518nMAssay 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
In Depth
Date in BDB:
1/19/2024
Entry Details
Go to US Patent

TargetAndrogen receptor(Human)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM18678(CHEMBL63560 | (2R)-N-[4-cyano-3-(trifluoromethyl)p...)
Affinity DataKi:  3.70E+3nMAssay Description:Displacement of [3H]testosterone from wild type human androgen receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed