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 C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2

InChI Key InChIKey=CECSFCKUXJBSMW-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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(Human)
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50039286BDBM50039286(CHEMBL3085538 | (1S,9aR,11aS)-9a,11a-Dimethyl-7-ox...)
Affinity DataKi:  6.90nMAssay Description:In vitro inhibitory activity against human type 1 5-alpha reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Human)
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50039286BDBM50039286(CHEMBL3085538 | (1S,9aR,11aS)-9a,11a-Dimethyl-7-ox...)
Affinity DataKi:  180nMAssay Description:Binding affinity for human 5 alpha reductase 1 isozymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50039286BDBM50039286(CHEMBL3085538 | (1S,9aR,11aS)-9a,11a-Dimethyl-7-ox...)
Affinity DataKi:  180nMAssay Description:Binding affinity for 3-beta-hydroxysteroid dehydrogenaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed