BDBM50013111 1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5S)-5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (ddeThd)::2',3'-didehydro-3'-deoxythymidine::2',3'-dideoxy-2',3'-didehydrothymidine::3'-deoxy-2',3'-didehydrothymidine::3'-deoxy-2'-thymidine::BMY-27857::CHEMBL991::STAVUDINE::Zerit::Zerit xr::cid_18283::cid_5155::d4T

SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O

InChI Key InChIKey=XNKLLVCARDGLGL-UHFFFAOYSA-N

Data  4 KI  9 IC50  1 Kd  3 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 17 hits for monomerid = 50013111   

TargetRecBCD enzyme subunit RecD(Escherichia coli (strain K12))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 7.25E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 9.60E+3nMAssay Description:Inhibition of HIV1 reverse transcriptase-mediated thymidine incorporation into D23/D36 primer-template preincubated for 15 mins by polyacrylamide gel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 60nMAssay Description:Inhibition of HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
The University of Georgia

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataEC50:  500nMAssay Description:In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2012
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
The University of Georgia

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataEC50:  50nMAssay Description:Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
The University of Georgia

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataEC50:  450nMAssay Description:In vitro antiviral activity against HIV-1 Reverse transcriptase wild typeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2012
Entry Details Article
PubMed
TargetAlbumin(Human)
Mercer University

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataKd:  4.40E+4nMAssay Description:Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2016
Entry Details Article
PubMed
TargetRecBCD enzyme subunit RecD(Escherichia coli (strain K12))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 5.29E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetRecBCD enzyme subunit RecD(Escherichia coli (strain K12))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataIC50: 6.03E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetThymidine kinase, cytosolic(Human)
Michigan Cancer Foundation

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataKi:  5.80E+5nMAssay Description:Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
TargetThymidine kinase, cytosolic(Human)
Michigan Cancer Foundation

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataKi:  6.15E+5nMAssay Description:Inhibitory affect against rabbit thymus thymidine kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
TargetThymidine kinase, cytosolic(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataKi:  1.70E+6nMAssay Description:Competitive inhibition against rat Mitochondrial thymidine kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2012
Entry Details Article
PubMed
LigandPNGBDBM50013111(2',3'-didehydro-3'-deoxythymidine | 1-(5-Hydroxyme...)
Affinity DataKi:  3.25E+6nMAssay Description:Competitive inhibition against rat mitochondrial thymidine kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2012
Entry Details Article
PubMed