Found 22 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Androgen receptor
(256/256 = 100%)† (Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSC-Scientific Computing Ltd.
Curated by ChEMBL
| Assay Description Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate |
J Med Chem 48: 917-25 (2005)
Article DOI: 10.1021/jm0495879 BindingDB Entry DOI: 10.7270/Q2SJ1PBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Michigan Medical School
Curated by ChEMBL
| Assay Description Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone |
J Med Chem 43: 3344-7 (2000)
BindingDB Entry DOI: 10.7270/Q2GQ6ZFW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 3.20 | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
| Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that... |
ACS Chem Biol 8: 2550-60 (2013)
Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Displacement of [3H]Mibolerone from rat recombinant androgen receptor expressed in Escherichia coli after 4 hrs |
Bioorg Med Chem Lett 23: 1834-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Michigan Medical School
Curated by ChEMBL
| Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand |
Bioorg Med Chem Lett 11: 1045-7 (2001)
BindingDB Entry DOI: 10.7270/Q2SF2WQ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Michigan Medical School
Curated by ChEMBL
| Assay Description Inhibition of rat prostate cytosolic androgen receptor |
Bioorg Med Chem Lett 14: 5285-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay |
ACS Med Chem Lett 2: 124-129 (2011)
Article DOI: 10.1021/ml1002508 BindingDB Entry DOI: 10.7270/Q2JQ119N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against AR |
Bioorg Med Chem Lett 16: 834-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity at AR |
Bioorg Med Chem Lett 17: 6295-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to androgen receptor |
Bioorg Med Chem Lett 17: 2944-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR) |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
The Pennsylvania State University
Curated by ChEMBL
| Assay Description Inhibition of human androgen receptor expressed in Escherichia coli |
J Med Chem 47: 4985-8 (2004)
Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac... |
J Med Chem 58: 1569-74 (2015)
Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gothenburg
Curated by ChEMBL
| Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition |
J Med Chem 58: 1569-74 (2015)
Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 4.57 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay 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... |
J Med Chem 55: 6316-27 (2012)
Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Displacement of [3H]Mibolerone from rat recombinant androgen receptor expressed in Escherichia coli after 4 hrs |
Bioorg Med Chem Lett 23: 1834-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Mus musculus) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| PDB US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.4 | 25 |
ENDORECHERCHE, INC.
US Patent
| Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit... |
US Patent US9682960 (2017)
BindingDB Entry DOI: 10.7270/Q2PZ5708 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Radius Health, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to androgen receptor by fluorescence binding assay |
Bioorg Med Chem Lett 20: 7516-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.140 BindingDB Entry DOI: 10.7270/Q2FJ2HR0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) |
J Med Chem 48: 5666-74 (2005)
Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Mus musculus) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals AB
Curated by ChEMBL
| Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf... |
J Med Chem 52: 7186-91 (2009)
Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.
Curated by ChEMBL
| Assay Description Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR... |
J Med Chem 60: 6451-6457 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(256/256 = 100%)† (Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.16 | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals AB
Curated by ChEMBL
| Assay Description Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by lucife... |
J Med Chem 52: 7186-91 (2009)
Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |