null

SMILES COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1

InChI Key InChIKey=HZTFNSCZLJLPEO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50051913   

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

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibitory activity of the compound against Toxoplasma gondii dihydrofolate reductase (in 50 microM dihydrofolic acid)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0F8NPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))TBA
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 26nMMore data for this Ligand-Target Pair
In DepthDetails MMDB
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibitory activity of the compound against recombinant lc dihydrofolate reductase(in 50 microM dihydrofolic acid)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0F8NPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1HQZPubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 57nMAssay Description:Inhibitory activity against rat liver dihydrofolate reductase (in 90 microM dihydrofolic acid)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0F8NPubMedMMDB
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 6.30nMAssay Description:Inhibitory activity against Toxoplasma gondii dihydrofolate reductase (in 90 microM dihydrofolic acid)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0F8NPubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibitory activity of the compound against recombinant sf dihydrofolate reductase(in 50 microM dihydrofolic acid)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0F8NPubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 84nMAssay Description:Inhibitory activity against Pneumocystis carinii dihydrofolate reductase (in 90 microM dihydrofolic acid)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0F8NPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))TBA
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibitory activity against recombinant human dihydrofolate reductase(in 50 microM dihydrofolic acid)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0F8NPubMedMMDB
TargetDihydrofolate reductase(Homo sapiens (Human))TBA
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1HQZPubMedMMDB
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibitory activity against Dihydrohydrofolate reductase(DHFR) of Toxoplasma gondiiMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5SRWPubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 57nMAssay Description:Inhibition of dihydrofolate reductase from rat liver.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38RZ9PubMedMMDB
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 6.30nMAssay Description:Inhibition of dihydrofolate reductase from toxoplasma gondii.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38RZ9PubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 84nMAssay Description:Inhibition of dihydrofolate reductase from pneumocystis carinii.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38RZ9PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 6.30nMAssay Description:Inhibition of Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40TQ3PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 84nMAssay 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
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 57nMAssay Description:Inhibition of rat liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40TQ3PubMedMMDB
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 84nMAssay Description:Inhibition of Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP03PTPubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 57nMAssay Description:Inhibition of rat liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP03PTPubMedMMDB
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 6.30nMAssay Description:Inhibition of Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP03PTPubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50051913(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)copy SMILEScopy InChI
Affinity DataIC50: 140nMAssay Description:Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0F8NPubMed