Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 32 hits in this display   

TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)Copy SMILESCopy InChI

Affinity DataKi:  0.900nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294211(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...)Copy SMILESCopy InChI

Affinity DataKi:  2.80nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
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TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)Copy SMILESCopy InChI

Affinity DataIC50:  2.90nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)Copy SMILESCopy InChI

Affinity DataIC50:  2.90nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294211(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...)Copy SMILESCopy InChI

Affinity DataIC50:  9.40nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Staphylococcus aureus)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294211(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...)Copy SMILESCopy InChI

Affinity DataIC50:  9.40nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Bacillus anthracis)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)Copy SMILESCopy InChI

Affinity DataIC50:  54nMAssay Description:Inhibition of Bacillus anthracis DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/TrEMBL
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB

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TargetDihydrofolate reductase(Bacillus anthracis)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50335532((E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)Copy SMILESCopy InChI

Affinity DataIC50:  96nMAssay Description:Inhibition of Bacillus anthracis DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/TrEMBL
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
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TargetDihydrofolate reductase(Bacillus anthracis)
Oklahoma State University

Curated by ChEMBL

LigandBDBM50335533((E)-1-(1-butylphthalazin-2(1H)-yl)-3-(5-((2,4-diam...)Copy SMILESCopy InChI

Affinity DataIC50:  170nMAssay Description:Inhibition of Bacillus anthracis DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/TrEMBL
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294207(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294204(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50: >1.90E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294205(1-(1-cyclohexylphthalazin-2(1H)-yl)-3-(5-((2,4-dia...)Copy SMILESCopy InChI

Affinity DataIC50: >1.90E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294210(1-(1-butylphthalazin-2(1H)-yl)-3-(5-((2,4-diaminop...)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294206(1-(1-cyclopentylphthalazin-2(1H)-yl)-3-(5-((2,4-di...)Copy SMILESCopy InChI

Affinity DataIC50: >2.20E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294216(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50: >2.30E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294213(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2-hydroxy...)Copy SMILESCopy InChI

Affinity DataIC50: >2.40E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294209(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294211(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294203(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294204(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294205(1-(1-cyclohexylphthalazin-2(1H)-yl)-3-(5-((2,4-dia...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294206(1-(1-cyclopentylphthalazin-2(1H)-yl)-3-(5-((2,4-di...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294207(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294208(CHEMBL565059 | methyl 2-(2-(3-(5-((2,4-diaminopyri...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294210(1-(1-butylphthalazin-2(1H)-yl)-3-(5-((2,4-diaminop...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Rattus norvegicus (rat))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294209(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of rat DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294203(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50: >2.70E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294214(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...)Copy SMILESCopy InChI

Affinity DataIC50: >4.20E+4nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294211(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...)Copy SMILESCopy InChI

Affinity DataIC50:  1.10E+5nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50335530((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...)Copy SMILESCopy InChI

Affinity DataIC50:  1.10E+5nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294211(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...)Copy SMILESCopy InChI

Affinity DataIC50:  1.10E+5nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetDihydrofolate reductase(Homo sapiens (Human))
Oklahoma State University

Curated by ChEMBL

LigandBDBM50294208(CHEMBL565059 | methyl 2-(2-(3-(5-((2,4-diaminopyri...)Copy SMILESCopy InChI

Affinity DataIC50:  8.13E+5nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI