BDBM10067 (2R,15S)-2-[2-(cyclopropylsulfanyl)ethyl]-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6-diene-5,14-dione::3,17-Dioxo-19-[(cyclopropylthio)methyl]androsta-4,9(11)-diene::RU54115 Analog 29
SMILES: C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC3CC3)C1CCC2=O
InChI Key: InChIKey=KVBZDKAEXUSUQM-BVISAALYSA-N
Data: 1 IC50
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)) | BDBM10067 ((2R,15S)-2-[2-(cyclopropylsulfanyl)ethyl]-15-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Roussel Uclaf | Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co... | J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH | |||||||||||
More data for this Ligand-Target Pair |