BDBM50158383 2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 4-bromobenzenesulfonate::3,20-dioxopregn-4-en-21-yl 4-bromobenzenesulfonate::4-Pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate)::CHEMBL387152::NSC-88915

SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1

InChI Key InChIKey=ZQNARVKYKGBJES-UHFFFAOYSA-N

Data  10 IC50  1 EC50

  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 11 hits for monomerid = 50158383   

TargetBifunctional purine biosynthesis protein ATIC(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 1.39E+4nMAssay Description:Inhibition of human AICAR TfaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRhodopsin(Bovine)
Washington University

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataEC50:  4.50E+4nMAssay Description:Binding affinity to photoactivated rhodopsin in bovine retinal rod outer-segment membranes assessed as induction of extra receptor MII state stabiliz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetRhodopsin(Bovine)
Washington University

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of bovine retinal rod outer-segment photoactivated rhodopsin-transducer interaction by transducer release assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetTyrosyl-DNA phosphodiesterase 1(Human)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 7.70E+3nMAssay Description:Inhibition of human Tdp1 expressed in Escherichia coli assessed as blockade of enzyme-mediated hydrolysis of phosphodiester linkage between tyrosine ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetTyrosyl-DNA phosphodiesterase 1(Human)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAdenylate cyclase(Spirulina platensis)
Ruhr-University Bochum

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetAdenylate cyclase type 10(Human)
Ruhr-University Bochum

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human recombinant soluble adenylyl cyclaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetTyrosyl-DNA phosphodiesterase 1(Human)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 8.43E+3nMAssay Description:Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetTyrosyl-DNA phosphodiesterase 1(Human)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 7.70E+3nMAssay Description:Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetTyrosyl-DNA phosphodiesterase 1(Human)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of His-tagged full length human Tdp1More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2019
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50158383(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of CDK5/p25 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed