BDBM50039286 (1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid adamantan-2-yl ester::CHEMBL3085538

SMILES [H][C@@]12CC[C@H](C(=O)OC3[C@@]4([H])C[C@]5([H])C[C@@]([H])(C[C@@]3([H])C5)C4)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CNC2=CC(=O)CC[C@]12C

InChI Key InChIKey=CECSFCKUXJBSMW-IWEWVUNSSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50039286   

Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50039286((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Affinity DataKi:  6.90nMAssay Description:In vitro inhibitory activity against human type 1 5-alpha reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50039286((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Affinity DataKi:  180nMAssay Description:Binding affinity for human 5 alpha reductase 1 isozymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50039286((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Affinity DataKi:  180nMAssay Description:Binding affinity for 3-beta-hydroxysteroid dehydrogenaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed