Found 60 hits for monomerid = 8582,13775,19214,23195,26258,48353,81417,91716,91721,50026617,50026618,50025398,50025397,50025452,50039142 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM26258
 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEBI KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.75 | 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM26258
 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEBI KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.75 | 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)
Article DOI: 10.1021/jm000163y BindingDB Entry DOI: 10.7270/Q2GQ6ZFW |
More data for this Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM26258
 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEBI KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.75 | 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)
Article DOI: 10.1016/s0960-894x(01)00146-9 BindingDB Entry DOI: 10.7270/Q2SF2WQ5 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Rattus norvegicus (Rat)) | BDBM26258
 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEBI KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.759 | 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 | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM8582
 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999)
Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09 |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Oryctolagus cuniculus) | BDBM50026617
 (17-Hydroxy-17-(2-iodo-vinyl)-13-methyl-1,2,6,7,8,9...)Show InChI InChI=1S/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-R5020 binding to rabbit uterine progesterone receptor |
J Med Chem 28: 1695-9 (1985)
Checked by Author Article DOI: 10.1021/jm00149a027 BindingDB Entry DOI: 10.7270/Q2ZC81W6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM8582
 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999)
Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09 |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Oryctolagus cuniculus) | BDBM50026618
 (17-Hydroxy-17-(2-iodo-vinyl)-13-methyl-1,2,6,7,8,9...)Show InChI InChI=1S/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-R5020 binding to rabbit uterine progesterone receptor |
J Med Chem 28: 1695-9 (1985)
Checked by Author Article DOI: 10.1021/jm00149a027 BindingDB Entry DOI: 10.7270/Q2ZC81W6 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025452
 ((testosterone)17-Hydroxy-10,13-dimethyl-1,2,6,7,8,...)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 | PDB MMDB
Reactome pathway KEGG
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| MMDB Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this Ligand-Target Pair | |
Corticosteroid-binding globulin
(Homo sapiens) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
Reactome pathway
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| PDB Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins) |
J Med Chem 47: 2732-42 (2004)
Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Corticosteroid-binding globulin
(Homo sapiens) | BDBM8582
 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | PDB
Reactome pathway
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| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins) |
J Med Chem 47: 2732-42 (2004)
Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q |
More data for this Ligand-Target Pair | |
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
(RAT) | BDBM8582
 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | Reactome pathway KEGG
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| Article PubMed
| 26.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999)
Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank PDB Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description Displacement of [3H]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM8582
 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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Similars
| Article PubMed
| 31.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999)
Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09 |
More data for this Ligand-Target Pair | |
Corticosteroid-binding globulin
(Homo sapiens) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
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| Article PubMed
| 525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins) |
J Med Chem 47: 2732-42 (2004)
Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 19A1
(Homo sapiens (Human)) | BDBM50039142
 (17-Hydroxy-10-hydroxymethyl-13-methyl-1,2,3,4,8,9,...)Show InChI InChI=1S/C19H28O3/c1-18-9-7-14-17(13(18)5-6-16(18)22)15(21)10-12-4-2-3-8-19(12,14)11-20/h10,13-14,16-17,20,22H,2-9,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku College of Pharmacy
Curated by ChEMBL
| Assay Description The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon plot |
J Med Chem 37: 2198-205 (1994)
Article DOI: 10.1021/jm00040a012 BindingDB Entry DOI: 10.7270/Q22F7MG3 |
More data for this Ligand-Target Pair | |
Organic anion-transporting polypeptide 1D1 (Oatp1d1)
(Danio rerio (Zebrafish)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | GoogleScholar
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| 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rudjer Boskovic Institute
| Assay 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... |
J Biol Chem 288: 33894-911 (2013)
Article DOI: 10.1074/jbc.M113.518506 BindingDB Entry DOI: 10.7270/Q29Z93RK |
More data for this Ligand-Target Pair | |
P-glycoprotein 1
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
Reactome pathway
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Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc
Curated by ChEMBL
| Assay Description Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay |
J Med Chem 46: 1716-25 (2003)
Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R |
More data for this Ligand-Target Pair | |
P-glycoprotein 1 and 3 (MDR1a/MDR1b)
(Mus musculus) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc
Curated by ChEMBL
| Assay Description Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay |
J Med Chem 46: 1716-25 (2003)
Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| DrugBank Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc
Curated by ChEMBL
| Assay Description Inhibition of human cytochrome P450 3A4 |
J Med Chem 46: 1716-25 (2003)
Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM23195
 ((2S,4aS,6aS,6bR,10S,12aS,12bR,14bR)-10-hydroxy-2,4...)Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26+,27-,28-,29+,30+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| Article PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Testis-specific androgen-binding protein
(Homo sapiens (Human)) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | n/a | 4.79E+3 | n/a | n/a | n/a | n/a | n/a |
University of British Columbia
Curated by ChEMBL
| Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin |
J Med Chem 51: 2047-56 (2008)
Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2 |
More data for this Ligand-Target Pair | |
Testis-specific androgen-binding protein
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a |
University of British Columbia
Curated by ChEMBL
| Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin |
J Med Chem 51: 2047-56 (2008)
Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2 |
More data for this Ligand-Target Pair | |
Testis-specific androgen-binding protein
(Homo sapiens (Human)) | BDBM8582
 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a |
University of British Columbia
Curated by ChEMBL
| Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin |
J Med Chem 51: 2047-56 (2008)
Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2 |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luc... |
J Nat Prod 72: 1944-8 (2009)
Article DOI: 10.1021/np9004882 BindingDB Entry DOI: 10.7270/Q2R49RQR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.338 | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Agonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity aft... |
J Med Chem 53: 6947-53 (2010)
Article DOI: 10.1021/jm100563h BindingDB Entry DOI: 10.7270/Q2PC33M2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| PDB Article PubMed
| n/a | n/a | 9.27 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activit... |
J Med Chem 53: 6947-53 (2010)
Article DOI: 10.1021/jm100563h BindingDB Entry DOI: 10.7270/Q2PC33M2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM26258
 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEBI KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.66 | 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | >4.27E+4 | 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.82E+5 | 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 | |
P-glycoprotein 1
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
Reactome pathway
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Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells |
J Med Chem 46: 1716-25 (2003)
Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R |
More data for this Ligand-Target Pair | |
Steroid 5-alpha-reductase
(Rattus norvegicus) | BDBM50025398
 (2',15'-dimethylspiro[tetrahydrofuran-2,14'-tetracy...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCCO1 Show InChI InChI=1S/C22H32O2/c1-20-10-6-16(23)14-15(20)4-5-17-18(20)7-11-21(2)19(17)8-12-22(21)9-3-13-24-22/h14,17-19H,3-13H2,1-2H3/t17?,18?,19?,20?,21?,22-/m0/s1 | MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Steroid 5-alpha-reductase from rat prostate |
J Med Chem 29: 2298-315 (1986)
Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Rattus norvegicus (Rat)) | BDBM26258
 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEBI KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Displacement of [3H]-MIB from rat prostate cytosolic androgen receptor by liquid scintillation counting method |
Bioorg Med Chem 25: 1600-1607 (2017)
Article DOI: 10.1016/j.bmc.2017.01.018 BindingDB Entry DOI: 10.7270/Q27D2XCS |
More data for this Ligand-Target Pair | |
Rho GTPase-activating protein 35
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
Reactome pathway
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Similars
| US Patent
| n/a | n/a | n/a | n/a | 41.6 | n/a | n/a | n/a | n/a |
Allergan Inc
US Patent
| Assay Description Glucocorticoid receptor (GR) activation potency was assessed using a HeLa cell line containing the MMTV-bla reporter (MMTV-bla HeLa CELLSENSOR®, Invi... |
US Patent US10188667 (2019)
BindingDB Entry DOI: 10.7270/Q24Q7X38 |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| PDB US Patent
| n/a | n/a | n/a | n/a | 0.470 | n/a | n/a | n/a | n/a |
Allergan Inc
US Patent
| Assay Description Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENS... |
US Patent US10188667 (2019)
BindingDB Entry DOI: 10.7270/Q24Q7X38 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| US Patent
| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
Allergan Inc
US Patent
| Assay Description Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENS... |
US Patent US10188667 (2019)
BindingDB Entry DOI: 10.7270/Q24Q7X38 |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description Binding affinity to MR (unknown origin) |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description Binding affinity to MR (unknown origin) |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Bile salt export pump
(Homo sapiens (Human)) | BDBM8582
 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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CHEBI KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats |
Drug Metab Dispos 40: 2332-41 (2012)
Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... |
Drug Metab Dispos 40: 2332-41 (2012)
Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.305 | n/a | n/a | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Agonist activity at GAL4 DNA-binding domain fused MR (unknown origin) ligand binding domain expressed in UAS-bla H cells assessed as beta-lactamase t... |
Eur J Med Chem 157: 791-804 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Adrenaline alpha2
(RAT) | BDBM8582
 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar
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CHEBI KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT2-expressing HRPE cells |
J Biol Chem 273: 32776-86 (1998)
Article DOI: 10.1074/jbc.273.49.32776 BindingDB Entry DOI: 10.7270/Q2ZK5KHT |
More data for this Ligand-Target Pair | |
P-glycoprotein (P-gp)
(Mus musculus (Mouse)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc
Curated by ChEMBL
| Assay Description Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay |
J Med Chem 46: 1716-25 (2003)
Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R |
More data for this Ligand-Target Pair | |
P-glycoprotein 1
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc
Curated by ChEMBL
| Assay Description Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC |
J Med Chem 46: 1716-25 (2003)
Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R |
More data for this Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025397
 (15'-methylspiro[tetrahydrofuran-2,14'-tetracyclo[8...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]21CCCO1 Show InChI InChI=1S/C21H30O2/c1-20-10-7-17-16-6-4-15(22)13-14(16)3-5-18(17)19(20)8-11-21(20)9-2-12-23-21/h13,16-19H,2-12H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | 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)
Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025398
 (2',15'-dimethylspiro[tetrahydrofuran-2,14'-tetracy...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCCO1 Show InChI InChI=1S/C22H32O2/c1-20-10-6-16(23)14-15(20)4-5-17-18(20)7-11-21(2)19(17)8-12-22(21)9-3-13-24-22/h14,17-19H,3-13H2,1-2H3/t17?,18?,19?,20?,21?,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 89 | 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)
Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
Steroid 5-alpha-reductase
(Rattus norvegicus) | BDBM50025397
 (15'-methylspiro[tetrahydrofuran-2,14'-tetracyclo[8...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]21CCCO1 Show InChI InChI=1S/C21H30O2/c1-20-10-7-17-16-6-4-15(22)13-14(16)3-5-18(17)19(20)8-11-21(20)9-2-12-23-21/h13,16-19H,2-12H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1 | MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Steroid 5-alpha-reductase from rat prostate |
J Med Chem 29: 2298-315 (1986)
Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
mineralocorticoid
(RAT) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Kaken Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 6310-3 (2011)
Checked by Author Article DOI: 10.1016/j.bmcl.2011.08.118 BindingDB Entry DOI: 10.7270/Q2JH3MKZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
mineralocorticoid
(RAT) | BDBM19214
 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Kaken Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1744-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.073 BindingDB Entry DOI: 10.7270/Q2474B55 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cytochrome P450 2J2
(Homo sapiens (Human)) | BDBM13775
 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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CHEBI DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method |
Drug Metab Dispos 41: 60-71 (2012)
Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G |
More data for this Ligand-Target Pair | |