BDBM50039293 (1S,9aR,11aS)-9a,11a-Dimethyl-1-(morpholine-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-(morpholine-4-carbonyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one::CHEMBL24291

SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCOCC1

InChI Key InChIKey=KHIHAGSEMMQNCV-UHFFFAOYSA-N

Data  4 KI  3 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 7 hits for monomerid = 50039293   

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

Curated by ChEMBL
LigandPNGBDBM50039293(9a,11a-Dimethyl-1-(morpholine-4-carbonyl)-1,2,3,3a...)
Affinity DataIC50: 7.10nMAssay 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
LigandPNGBDBM50039293(9a,11a-Dimethyl-1-(morpholine-4-carbonyl)-1,2,3,3a...)
Affinity DataIC50: 7.10nMAssay Description:Binding affinity for human 5-alpha reductase 2 isozymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Human)
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50039293(9a,11a-Dimethyl-1-(morpholine-4-carbonyl)-1,2,3,3a...)
Affinity DataIC50: 7.10nMAssay 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
LigandPNGBDBM50039293(9a,11a-Dimethyl-1-(morpholine-4-carbonyl)-1,2,3,3a...)
Affinity DataKi:  190nMAssay 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
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Human)
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50039293(9a,11a-Dimethyl-1-(morpholine-4-carbonyl)-1,2,3,3a...)
Affinity DataKi:  2.20E+3nMAssay 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
LigandPNGBDBM50039293(9a,11a-Dimethyl-1-(morpholine-4-carbonyl)-1,2,3,3a...)
Affinity DataKi:  2.20E+3nMAssay 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
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Human)
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50039293(9a,11a-Dimethyl-1-(morpholine-4-carbonyl)-1,2,3,3a...)
Affinity DataKi:  2.20E+3nMAssay 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