Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50036758 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
(Homo sapiens (Human)) | BDBM18161
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)Show 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 |r| Show InChI InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,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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CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50073060
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9| Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for human Androgen receptor expressed in COS-1 cells |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18190
(6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...)Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for human Androgen receptor expressed in COS-1 cells |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18161
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)Show 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 |r| Show InChI InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50073060
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9| Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity against Human Androgen receptor expressed in CV-1 cells |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18190
(6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...)Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18161
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)Show 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 |r| Show InChI InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity against Human Androgen receptor expressed in CV-1 cells |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50073060
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9| Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18190
(6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...)Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Antagonist activity against Human Androgen receptor expressed in CV-1 cells |
J Med Chem 42: 210-2 (1999)
Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W |
More data for this Ligand-Target Pair | |