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.

  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 12 hits for monomerid = 18161   

TargetAndrogen receptor(Homo sapiens (Human))
Takeda Pharmaceutical

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))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  2.10nMAssay Description:Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cellsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Takeda Pharmaceutical

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
TargetAndrogen receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...More data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  0.670nMAssay Description:Displacement of [3H]mibolerone from human AR after 3 hrsMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Takeda Pharmaceutical

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
TargetGlucocorticoid receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  540nMAssay Description:Binding affinity to GR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProgesterone receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  7.30E+3nMAssay Description:Binding affinity to PR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetMineralocorticoid receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  360nMAssay Description:Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant womenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed