BDBM50039284 (1S,9aR,11aS)-9a,11a-Dimethyl-1-(thiomorpholine-4-carbonyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one::9a,11a-Dimethyl-1-(thiomorpholine-4-carbonyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one::CHEMBL73816

SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCSCC1

InChI Key InChIKey=QLGRLIPMYCDDEH-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50039284   

Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Human)
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50039284(9a,11a-Dimethyl-1-(thiomorpholine-4-carbonyl)-1,2,...)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after pre-incubation for 10 minutesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Human)
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50039284(9a,11a-Dimethyl-1-(thiomorpholine-4-carbonyl)-1,2,...)
Affinity DataIC50: 1.30nMAssay Description:In vitro inhibitory activity against human type 2 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
LigandPNGBDBM50039284(9a,11a-Dimethyl-1-(thiomorpholine-4-carbonyl)-1,2,...)
Affinity DataKi:  570nMAssay Description:Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after pre-incubation for 10 minutesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Human)
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50039284(9a,11a-Dimethyl-1-(thiomorpholine-4-carbonyl)-1,2,...)
Affinity DataKi:  570nMAssay 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