null

SMILES COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC

InChI Key InChIKey=WJIMEKODTQDGFJ-UHFFFAOYSA-N

  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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 18490   

TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataKi:  1.25E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2028RSRPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 880nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 3.70E+3nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH oxidation at an absorbance of 340 nm over several minutes. All...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8496HPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH oxidation at an absorbance of 340 nm over several minutes. All...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8496HPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 400nMT: 2°CAssay Description:Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q290228KPubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2028RSRPubMed
TargetDihydrofolate reductase(Candida Glabrata)
University of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29K48RZPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29K48RZPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as susbtrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM29P7PubMed
TargetDihydrofolate reductase(Candida albicans)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM29P7PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 1.02E+4nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetDihydrofolate reductase(Candida Glabrata)
University of Connecticut

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 17nMT: 2°CAssay Description:Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q290228KPubMed