BDBM50179201 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 9-((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)nonanoate::((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 9-((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)nonanoate::5'-O-{9-[3',17'beta-dihydroxy-1',3',5'(10')-estratrien-16'beta-yl]-nonanoyl} adenosine::CHEMBL371948::O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE

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

InChI Key InChIKey=CKSDYJASHNGOOS-KTXOUVACSA-N

Data  1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50179201   

Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50179201(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiolMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50179201(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  8nMAssay Description:Inhibition of 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol using NADPHMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50179201(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  52nMAssay Description:Inhibition of human placental 17beta-HSD1More data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50179201(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  52nMAssay Description:Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiolMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50179201(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  52nMAssay Description:Inhibitory activity against type 1 17beta-HSD expressed in transfected HEK293 cellsMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50179201(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  52nMAssay 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