Found 28 hits for monomerid = 18167,18168,18169,18170,18172,18173,50205116,50205117,50205118,50205097,50205098,50205099,50205100,50205101,50205102 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
(Homo sapiens (Human)) | BDBM50205116
 (2-bromo-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)Show SMILES Cc1c(Br)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12BrN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18173
 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 1.40 | -11.9 | n/a | n/a | 0.700 | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Pharmaceutical Research Institute
| Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E... |
J Med Chem 50: 3015-3025 (2007)
Article DOI: 10.1021/jm070312d BindingDB Entry DOI: 10.7270/Q24F1P1F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18169
 ((7S,7aR)-7-hydroxy-2-(4-nitronaphthalen-1-yl)-hexa...)Show SMILES O[C@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O Show InChI InChI=1S/C16H13N3O5/c20-13-7-8-17-14(13)15(21)18(16(17)22)11-5-6-12(19(23)24)10-4-2-1-3-9(10)11/h1-6,13,20-21H,7-8H2/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.5 | -11.9 | n/a | n/a | 281 | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Co.
| Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E... |
J Med Chem 49: 7596-9 (2006)
Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18173
 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GTX Inc
Curated by ChEMBL
| Assay Description Agonist activity at androgen receptor (unknown origin) |
J Med Chem 52: 3597-617 (2009)
Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18168
 ((7R,7aS)-7-hydroxy-2-(4-nitronaphthalen-1-yl)-hexa...)Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O Show InChI InChI=1S/C16H13N3O5/c20-13-7-8-17-14(13)15(21)18(16(17)22)11-5-6-12(19(23)24)10-4-2-1-3-9(10)11/h1-6,13,20-21H,7-8H2/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.10 | -11.7 | n/a | n/a | 1.5 | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Co.
| Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E... |
J Med Chem 49: 7596-9 (2006)
Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18173
 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18173
 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 2.11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells |
Bioorg Med Chem Lett 17: 4487-90 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205100
 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O Show InChI InChI=1S/C15H12F3N3O3/c1-7-9(3-2-8(6-19)11(7)15(16,17)18)21-13(23)12-10(22)4-5-20(12)14(21)24/h2-3,10,22-23H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205102
 (3-ethyl-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)Show SMILES CCc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O Show InChI InChI=1S/C16H14F3N3O3/c1-2-9-10(4-3-8(7-20)12(9)16(17,18)19)22-14(24)13-11(23)5-6-21(13)15(22)25/h3-4,11,23-24H,2,5-6H2,1H3/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18167
 (4-(Tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c...)Show SMILES OC1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O Show InChI InChI=1S/C16H13N3O5/c20-13-7-8-17-14(13)15(21)18(16(17)22)11-5-6-12(19(23)24)10-4-2-1-3-9(10)11/h1-6,13,20-21H,7-8H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | -11.4 | n/a | n/a | 4.40 | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Co.
| Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E... |
J Med Chem 49: 7596-9 (2006)
Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205098
 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)Show InChI InChI=1S/C15H15N3O3/c1-8-9(2)11(4-3-10(8)7-16)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,12,19-20H,5-6H2,1-2H3/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18172
 (4-[(7S,7aR)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)Show SMILES O[C@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O Show InChI InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.30 | -11.2 | 60 | n/a | 1.30E+3 | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Co.
| Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E... |
J Med Chem 49: 7596-9 (2006)
Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18170
 (4-{7-hydroxy-1,3-dioxo-hexahydro-1H-pyrrolo[1,2-a]...)Show InChI InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.5 | -11.1 | n/a | n/a | 6.30 | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Co.
| Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E... |
J Med Chem 49: 7596-9 (2006)
Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205101
 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)C(F)(F)F)c2=O Show InChI InChI=1S/C14H10F3N3O3/c15-14(16,17)9-5-8(2-1-7(9)6-18)20-12(22)11-10(21)3-4-19(11)13(20)23/h1-2,5,10,21-22H,3-4H2/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205099
 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)Show SMILES COc1c(C)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C15H15N3O4/c1-8-9(7-16)3-4-10(13(8)22-2)18-14(20)12-11(19)5-6-17(12)15(18)21/h3-4,11,19-20H,5-6H2,1-2H3/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18173
 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 14 | -10.6 | n/a | n/a | 7.80 | n/a | n/a | 7.6 | 22 |
Bristol-Myers Squibb Co.
| Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB... |
J Med Chem 52: 2794-8 (2009)
Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205097
 (3-ethyl-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)Show InChI InChI=1S/C15H15N3O3/c1-2-10-7-9(8-16)3-4-11(10)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,7,12,19-20H,2,5-6H2,1H3/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205116
 (2-bromo-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)Show SMILES Cc1c(Br)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12BrN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205118
 (CHEMBL230594 | methyl 6-cyano-3-((7R,7aS)-7-hydrox...)Show SMILES COC(=O)c1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O Show InChI InChI=1S/C16H15N3O5/c1-8-10(4-3-9(7-17)12(8)15(22)24-2)19-14(21)13-11(20)5-6-18(13)16(19)23/h3-4,11,20-21H,5-6H2,1-2H3/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Mus musculus) | BDBM18173
 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay |
Bioorg Med Chem Lett 17: 4487-90 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205117
 (2-hydroxy-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahyd...)Show InChI InChI=1S/C14H13N3O4/c1-7-9(3-2-8(6-15)12(7)19)17-13(20)11-10(18)4-5-16(11)14(17)21/h2-3,10,18-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18173
 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205098
 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)Show InChI InChI=1S/C15H15N3O3/c1-8-9(2)11(4-3-10(8)7-16)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,12,19-20H,5-6H2,1-2H3/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205097
 (3-ethyl-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)Show InChI InChI=1S/C15H15N3O3/c1-2-10-7-9(8-16)3-4-11(10)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,7,12,19-20H,2,5-6H2,1H3/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205102
 (3-ethyl-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)Show SMILES CCc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O Show InChI InChI=1S/C16H14F3N3O3/c1-2-9-10(4-3-8(7-20)12(9)16(17,18)19)22-14(24)13-11(23)5-6-21(13)15(22)25/h3-4,11,23-24H,2,5-6H2,1H3/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205099
 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)Show SMILES COc1c(C)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N Show InChI InChI=1S/C15H15N3O4/c1-8-9(7-16)3-4-10(13(8)22-2)18-14(20)12-11(19)5-6-17(12)15(18)21/h3-4,11,19-20H,5-6H2,1-2H3/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 221 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205100
 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O Show InChI InChI=1S/C15H12F3N3O3/c1-7-9(3-2-8(6-19)11(7)15(16,17)18)21-13(23)12-10(22)4-5-20(12)14(21)24/h2-3,10,22-23H,4-5H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50205101
 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)C(F)(F)F)c2=O Show InChI InChI=1S/C14H10F3N3O3/c15-14(16,17)9-5-8(2-1-7(9)6-18)20-12(22)11-10(21)3-4-19(11)13(20)23/h1-2,5,10,21-22H,3-4H2/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human AR |
Bioorg Med Chem Lett 17: 1860-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1 |
More data for this Ligand-Target Pair | |