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-KRWDZBQOSA-N

Data  13 KI  11 IC50  1 EC50

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 18678   

TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Tennessee At Memphis

LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Tennessee At Memphis

LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Tennessee At Memphis

LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Tennessee At Memphis

LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Affinity DataKi:  11nMAssay Description:Binding affinity to Androgen receptor (unknown origin)More data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Tennessee At Memphis

LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Affinity DataKi:  11nMAssay Description:Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostateMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor [633-919](Homo sapiens (Human))
University Of Tennessee Research Foundation

US Patent
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor [633-919](Homo sapiens (Human))
University Of Tennessee Research Foundation

US Patent
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Affinity DataKi:  3.70E+3nMAssay Description:Displacement of [3H]testosterone from wild type human androgen receptorMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor [633-919](Homo sapiens (Human))
University Of Tennessee Research Foundation

US Patent
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Tennessee At Memphis

LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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 DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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
TargetAndrogen receptor(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM18678((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
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