BDBM50025356 4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide::CHEMBL710::Finasteride::N-tert-butyl-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxamide

SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C

InChI Key InChIKey=DBEPLOCGEIEOCV-UHFFFAOYSA-N

Data  10 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50025356   

TargetcDNA, FLJ78895, highly similar to 3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
Metropolitan University-Xochimilco

LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  1.30nMpH: 6.5 T: 2°CAssay Description:The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  0.180nMAssay Description:Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutesMore 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
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  150nMAssay Description:Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  21nMAssay Description:Inhibitory concentration against human recombinant steroid 5-alpha-reductase type 2 in stably transfected chinese hamster ovary 1827 cells using [3H]...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  4.00E+4nMAssay Description:Compound was tested for its inhibitory potency against rat Steroid 5-alpha-reductase type 1 expressed in transformed yeast Saccharomyces cerevesiaeMore data for this Ligand-Target Pair
In DepthDetails Article
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  25nMAssay Description:Inhibition of steroid 5alpha reductase type 2 expressed in HEK 293 cellsMore 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
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  453nMAssay Description:Inhibition of steroid 5alpha reductase type 1 expressed in HEK 293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  4.20nMAssay Description:Inhibitory activity of the compound against type-2 human steroid 5-alpha-reductase.More data for this Ligand-Target Pair
In DepthDetails Article
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  500nMAssay Description:Inhibitory activity of the compound against type-1 human steroid 5-alpha-reductase.More data for this Ligand-Target Pair
In DepthDetails Article
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
Glaxo Inc. Research Institute

Curated by ChEMBL
LigandPNGBDBM50025356(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Affinity DataIC50:  911nMAssay Description:Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed