BDBM50198711 (8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one::CHEMBL241694::ethisterone
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
InChI Key: InChIKey=CHNXZKVNWQUJIB-CEGNMAFCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Testis-specific androgen-binding protein (Homo sapiens (Human)) | BDBM50198711 ((8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,1...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin | J Med Chem 51: 2047-56 (2008) Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50198711 ((8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Las Villas Curated by ChEMBL | Assay Description Inhibition of mushroom tyrosinase after 10 mins | Bioorg Med Chem 15: 1483-503 (2007) Article DOI: 10.1016/j.bmc.2006.10.067 BindingDB Entry DOI: 10.7270/Q2Q23ZVR | |||||||||||
More data for this Ligand-Target Pair |