BDBM50039259 (1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid [bis-(4-chloro-phenyl)-methyl]-amide::9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid [bis-(4-chloro-phenyl)-methyl]-amide::CHEMBL412425
SMILES: C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI Key: InChIKey=HGVJAJYYFXHPED-XXRHFDIKSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50039259 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Binding affinity for human 5 alpha reductase 1 isozyme | J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50039259 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase | J Med Chem 37: 2352-60 (1994) BindingDB Entry DOI: 10.7270/Q228088W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50039259 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes | J Med Chem 36: 4313-5 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I (Homo sapiens (Human)) | BDBM50039259 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Binding affinity for 3-beta-hydroxysteroid dehydrogenase | J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50039259 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase | J Med Chem 37: 2352-60 (1994) BindingDB Entry DOI: 10.7270/Q228088W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50039259 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Binding affinity for human 5-alpha reductase 2 isozyme | J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50039259 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes | J Med Chem 36: 4313-5 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F76 | |||||||||||
More data for this Ligand-Target Pair |