BDBM50179198 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 7-((8R,9S,13S,14S,16S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)heptanoate::5'-O-{8-[3',17'beta-dihydroxy-1',3',5'(10')-estratrien-16'beta-yl]-octanoyl} adenosine::CHEMBL332756

SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O

InChI Key InChIKey=FRPPMZBCPREMIZ-CNOKREJKSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50179198   

Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
Chuq-Pavillon Chul And Université

Curated by ChEMBL
LigandPNGBDBM50179198(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  93nMAssay Description:Inhibition of (unknown origin) 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol using NADHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
Chuq-Pavillon Chul And Université

Curated by ChEMBL
LigandPNGBDBM50179198(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  93nMAssay Description:Inhibitory activity against type 1 17beta-HSD expressed in transfected HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed