null

SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1

InChI Key InChIKey=KKMWDWUZXFYKLD-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50034929   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondiiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FB520TPubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 77nMAssay Description:Inhibitory activity against Dihydrofolate reductase from Pneumocystis cariniiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FB520TPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibitory activity against Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2154G39PubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 17.4nMAssay Description:Inhibitory activity against Dihydrofolate reductase from rat liverMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 125nMAssay Description:Inhibitory activity against Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2154G39PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Inhibition of Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40TQ3PubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+3nMAssay Description:Antimycobacterial activity against human dihydrofolate reductase (hDHFR)More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 0.840nMAssay Description:Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 17.4nMAssay Description:Inhibition of rat liver dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 76.7nMAssay Description:Inhibition of Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40TQ3PubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50034929(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 370nMAssay Description:Inhibitory activity of the compound against rat liver dihydrofolate reductaseMore data for this Ligand-Target Pair