BDBM9948 (8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione::6-Alkyl 1,4-Diene Steroid 4b
SMILES: CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
InChI Key: InChIKey=XCVPQQKZRNPVKM-HWYUWTSOSA-N
PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM9948 ((8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.70 | -11.8 | 54 | 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: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P | |||||||||||
More data for this Ligand-Target Pair |