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 83 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:  0.200nMAssay 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))
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:  0.270nM ΔG°:  -12.1kcal/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))
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(Rattus norvegicus (Rat))
The Ohio State University

LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.282nMAssay 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))
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(Rattus norvegicus (Rat))
The Ohio State University

LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.430nM ΔG°:  -11.9kcal/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))
The Ohio State University

LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  0.690nMAssay Description:Inhibitory constant against rat prostate cytosol androgen receptor using [3H]miboleroneMore 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:  0.900nMAssay 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))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  2nMAssay Description:Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for 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 DataKi:  2nMAssay Description:Binding affinity against Androgen receptor expressed COS 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 DataKi:  2nMAssay Description:Agonist activity to the human androgen receptor (hAR) 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 DataKi:  3nMAssay Description:Transcriptional repression in HepG2 cells expressing human glucocorticoid receptorMore 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:  4.70nMAssay Description:Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation countingMore 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:  10nMAssay Description:Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assayMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  220nMAssay Description:Competitive inhibition of binding to human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCorticosteroid-binding globulin(Homo sapiens)
Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  1.55E+3nMAssay Description:Inactivation rate (Ki) for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member(Danio rerio (Zebrafish))
Rudjer Boskovic Institute

LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataKi:  2.34E+4nMAssay Description:In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...More 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:  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 DataIC50:  0.0500nMAssay Description:Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-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 DataIC50:  1.82nMAssay Description:Activity against human androgen receptor expressed in HepG2 cells assessed as luciferase reporter gene activationMore 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 DataIC50:  18.5nMAssay Description:Displacement of androgen fluormone from rat androgen receptorMore 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 DataIC50: >1.00E+4nMAssay Description:Antagonist 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:  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 DataIC50:  13nMAssay Description:Competitive inhibition of androgen binding to androgen receptor (unknown origin) by invitrogen polar screen 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 DataIC50:  1nMAssay Description:Displacement of [3H]methyltrienolone from androgen receptor in human MDA-MB-453 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:  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
TargetGlucocorticoid receptor(RAT)
Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  2.00E+4nMAssay 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., Ltd

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  2.10E+3nMAssay 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))
The Ohio State University

LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  3.10nMAssay Description:Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProgesterone receptor(Oryctolagus cuniculus)
Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  440nMAssay Description:Displacement of [3H]progesterone from rabbit PR by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(RAT)
Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  2.10E+3nMAssay Description:Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation countingChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Rattus norvegicus (Rat))
The Ohio State University

LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  2nMAssay Description:Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation countingChecked by AuthorMore 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 DataIC50:  3.10nMAssay Description:Competitive binding affinity to rat androgen receptorChecked by AuthorMore 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
TargetProgesterone receptor(Oryctolagus cuniculus)
Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  440nMAssay Description:Displacement of [3H]progesterone from progesterone receptor in JW rabbit uterus after 2 hrs by liquid scintillation countingChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(RAT)
Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50:  2.00E+4nMAssay Description:Displacement of [3H]Dex from glucocorticoid receptor in Sprague-Dawley rat liver after 2 hrs by liquid scintillation countingChecked by AuthorMore 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:  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 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))
Ligand Pharmaceuticals

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))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18161((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assayMore 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 DataIC50:  2.20nMAssay Description:In vitro antagonist activity against rat prostatic androgen receptor (AR)More data for this Ligand-Target Pair
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