BindingDB PrimarySearch

BDBM50004152 (HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione::1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione::1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE::1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione::1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione(HEPT)::1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine::1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-thymine::CHEMBL31871

SMILES: Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O

InChI Key: InChIKey=HDMHBHNRWDNNCD-UHFFFAOYSA-N

Data: 8 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50004152
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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells.				J Med Chem 34: 3305-9 (1991) BindingDB Entry DOI: 10.7270/Q2DR2TFF
Veterans Affairs Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Showa University Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 reverse transcriptase activity using poly(rA)-oligo(dT) template primer				J Med Chem 32: 2507-9 (1989) BindingDB Entry DOI: 10.7270/Q2HH6J27
Showa University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells				Bioorg Med Chem Lett 14: 3173-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.008 BindingDB Entry DOI: 10.7270/Q2862HNN
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
URA 1387 CNRS Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase(RT)				J Med Chem 38: 4679-86 (1995) BindingDB Entry DOI: 10.7270/Q2QF8RWD
URA 1387 CNRS Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Showa University Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 reverse transcriptase activity using poly(rC)-oligo(dG) template primer				J Med Chem 32: 2507-9 (1989) BindingDB Entry DOI: 10.7270/Q2HH6J27
Showa University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade				J Med Chem 44: 145-54 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FRX
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description Inhibitory concentration required to inhibit the HIV-1 reverse transcriptase activity				J Med Chem 47: 928-34 (2004) Article DOI: 10.1021/jm0309856 BindingDB Entry DOI: 10.7270/Q26W988R
Universita degli Studi di Roma La Sapienza					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	>4.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells				Bioorg Med Chem Lett 14: 3173-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.008 BindingDB Entry DOI: 10.7270/Q2862HNN
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50004152 ((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...) Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oxford Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 reverse transcriptase				J Med Chem 39: 1589-600 (1996) Article DOI: 10.1021/jm960056x BindingDB Entry DOI: 10.7270/Q23X85QC
Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)