BindingDB PrimarySearch

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-JGVFFNPUSA-N

Data: 4 KI 9 IC50 1 Kd 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50013111
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan Cancer Foundation Curated by ChEMBL					Assay Description Inhibitory affect against rabbit thymus thymidine kinase				J Med Chem 33: 258-63 (1990) BindingDB Entry DOI: 10.7270/Q2P26ZQS
Michigan Cancer Foundation Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	6.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan Cancer Foundation Curated by ChEMBL					Assay Description Inhibitory affect against rabbit thymus thymidine kinase				J Med Chem 33: 258-63 (1990) BindingDB Entry DOI: 10.7270/Q2P26ZQS
Michigan Cancer Foundation Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase (Rattus norvegicus)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase				J Med Chem 25: 644-9 (1982) BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidine kinase 2 (Rattus norvegicus)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.25E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition against rat mitochondrial thymidine kinase				J Med Chem 25: 644-9 (1982) BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a
The University of Georgia Curated by ChEMBL					Assay Description In vitro antiviral activity against HIV-1 Reverse transcriptase wild type				Bioorg Med Chem Lett 13: 1993-6 (2003) BindingDB Entry DOI: 10.7270/Q2639Q86
The University of Georgia Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.				J Med Chem 36: 826-30 (1993) BindingDB Entry DOI: 10.7270/Q2WW7JBD
URA CNRS 1309 Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
The University of Georgia Curated by ChEMBL					Assay Description In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant				Bioorg Med Chem Lett 13: 1993-6 (2003) BindingDB Entry DOI: 10.7270/Q2639Q86
The University of Georgia Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay 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...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay 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...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay 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 ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 15: 5519-28 (2007) Article DOI: 10.1016/j.bmc.2007.05.047 BindingDB Entry DOI: 10.7270/Q20P12S1
Gilead Sciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Serum albumin (Homo sapiens (Human))	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a
Mercer University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis				Bioorg Med Chem Lett 25: 3168-71 (2015) BindingDB Entry DOI: 10.7270/Q21N82W0
Mercer University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21G0JXG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase-mediated thymidine incorporation into D23/D36 primer-template preincubated for 15 mins by polyacrylamide gel...				Bioorg Med Chem 18: 4661-73 (2010) Article DOI: 10.1016/j.bmc.2010.05.025 BindingDB Entry DOI: 10.7270/Q2NS0XQ1
University of Cape Town Curated by ChEMBL					More data for this Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21G0JXG
					More data for this Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655)	BDBM50013111 (1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	7.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21G0JXG
					More data for this Ligand-Target Pair