BDBM18161 (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one::(5alpha,17beta)-17-hydroxyandrostan-3-one::CHEMBL27769::DHT::Dihydrotestosterone::[3H]DHT

SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C

InChI Key InChIKey=NVKAWKQGWWIWPM-ABEVXSGRSA-N

Data  22 KI  38 IC50  2 Kd  27 EC50

PDB links: 55 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 18161   

TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.200nM EC50:  5.10nMAssay 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))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.200nM ΔG°:  -13.8kcal/mole EC50:  5.10nMpH: 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))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.200nM ΔG°:  -13.8kcal/mole EC50:  5.10nMpH: 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(Rattus norvegicus (Rat))
The Ohio State University

LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.280nM ΔG°:  -12.1kcal/mole EC50:  1nMpH: 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))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.300nM ΔG°:  -12.9kcal/mole EC50:  2.80nMpH: 7.4 T: 2°CAssay Description:Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.300nM ΔG°:  -13.5kcal/mole EC50:  5.70nMpH: 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))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  6nMAssay Description:In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  5nMAssay Description:Agonist activity against Human Androgen receptor expressed in CV-1 cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  0.180nMAssay Description:Agonist activity at human androgen receptor expressed in HEK293 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  5.70nMAssay Description:Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  6nMAssay Description:Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell linesMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  2nMAssay Description:Agonist activity at androgen receptor in human MDA-MB-453 cells transfected with MMTV-LUC assessed as induction of MMTV-LTR/promoter linked LUC gene ...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  0.0500nMAssay Description:Agonist activity at androgen receptor expressed in mouse C2C12 cells assessed as osteoblast differentiation after 5 daysMore data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
The Ohio State University

LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  0.970nMAssay Description:Agonist activity at rat androgen receptorChecked by AuthorMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  6.20nMAssay Description:Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  6nMAssay Description:Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cellMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  5.10nMAssay Description:Agonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  6.20nMAssay Description:Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...More data for this Ligand-Target Pair
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  4.49E+3nMAssay Description:Agonist activity at human TGR5 expressed in CHO cells by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  20nMAssay Description:Agonist activity at androgen receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-DBD by luciferase r...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  5.70nMAssay Description:Agonist activity at human androgen receptor in CV1 cells by transcriptional activation assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Mus musculus)
Chonnam National University

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  3.98nMAssay Description:Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  6nMAssay Description:Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  3nMAssay Description:Agonist activity at human AR expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  8.20E+3nMAssay Description:Agonist activity at PR (unknown origin) by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  0.100nMAssay Description:Agonist activity at human Androgen receptor measured by CALUX bioassayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataEC50:  0.140nMAssay Description:Modulation of Androgen receptor (unknown origin)More data for this Ligand-Target Pair