null

SMILES COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=FJNFXXGWYVMQNA-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50329608   

TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)copy SMILEScopy InChI
Affinity DataKi:  4.28E+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(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)copy SMILEScopy InChI
Affinity DataIC50: 290nMAssay 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(Candida albicans)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Inhibition of Candida albicans DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)copy SMILEScopy InChI
Affinity DataIC50: 1.27E+4nMAssay 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(Homo sapiens (Human))
University of Connecticut

LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)copy SMILEScopy InChI
Affinity DataIC50: 290nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0Q2NPubMed
TargetDihydrofolate reductase(Candida Glabrata)
University of Connecticut

LigandPNGBDBM50329608(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay 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