BDBM9965 (8S)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 4a
SMILES: CC12CCC3C(C[C@H](O)C4=CCCCC34C)C1CCC2=O
InChI Key: InChIKey=UPJODXGWEXHPEK-GXXLBWDJSA-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 |
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Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM9965 ((8S)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 21 | -10.9 | 190 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Tohoku College of Pharmacy | Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re... | J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV | |||||||||||
More data for this Ligand-Target Pair |