BDBM18512 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine::CHEMBL36::Pyrimethamine (Pyr)::US11530198, Example Pyrimethamine::cid_4993

SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

InChI Key InChIKey=WKSAUQYGYAYLPV-UHFFFAOYSA-N

Data  42 KI  79 IC50  4 Kd  2 EC50

  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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 122 hits for monomerid = 18512   

TargetDihydrofolate reductase(Bacillus cereus (strain ATCC 14579 / DSM 31 / CCUG...)
University of Connecticut At Storrs

LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 1.00E+6nMpH: 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
PubMed
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetLow molecular weight phosphotyrosine protein phosphatase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 1.65E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetLow molecular weight phosphotyrosine protein phosphatase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 3.29E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 8.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataKd:  1.40nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46A Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataKd:  13nMAssay Description:Thermodynamic dissociation constant of compound for wild type Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataKd:  16nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46N Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii at 37 centigrade.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 3.65E+3nMAssay Description:Inhibitory activity against Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 390nMAssay Description:Inhibition of Toxoplasma gondii Dihydrofolate ReductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of Pneumocystis carinii Dihydrofolate ReductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 3.65E+3nMAssay Description:In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 390nMAssay Description:Inhibitory activity against Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataKd:  1.5nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46N Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 390nMAssay Description:Compound was tested for inhibition activity against Toxoplasma gondii (Toxoplasma gondii) Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.40E+3nMAssay Description:Compound was tested for inhibition activity against pneumocystis carinii (Pneumocystis carinii) Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibitory activity against rat liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of rat liver Dihydrofolate ReductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 390nMAssay Description:Inhibitory concentration against Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.30E+3nMAssay Description:In vitro inhibitory concentration against rat liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 1.50E+3nMAssay Description:Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 390nMAssay Description:The ability to inhibit Toxoplasma gondii Dihydrofolate reductase was testedMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase DHFR in rat liverMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 390nMAssay Description:Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 3.09E+4nMAssay Description:Antiplasmodial activity IC50 against Plasmodium falciparum K1CB1 DHFR double-mutant (C59R/S10)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 4.17E+4nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R+S108N/I164L (Csl-2) mutantMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 1.00E+5nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase CN51I/C59R/S108N/I164L (V1/S) mutantMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 80nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase wild type (TM4/8.2)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 7.35E+4nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase N51I/C59R/S108N (W2)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 80nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium parvum)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of Cryptosporidium hominis DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit alpha/beta(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of beta-N-acetylhexosaminidase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit alpha(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human placental HexA using pNPGlcNAc substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit beta(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 4.50E+3nMpH: 7.0Assay Description:Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit alpha(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 3.10E+3nMpH: 7.0Assay Description:Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit alpha(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 8.50E+3nMpH: 4.5Assay Description:Inhibition of HexA alpha G269S mutant in ATSD patient fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit alpha(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 1.40E+4nMpH: 4.5Assay Description:Inhibition of HexA in normal human fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit beta(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 9.10E+3nMpH: 4.5Assay Description:Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit alpha(Human)
Sickkids

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 8.90E+3nMpH: 4.5Assay Description:Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibitory activity against Pneumocystis carinii Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 390nMAssay Description:Inhibitory activity against Toxoplasma gondii Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibitory activity against rat liver Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of Dihydrofolate reductase of Pneumocystis cariniiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of Dihydrofolate reductase (DHFR) of in rat liverMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 390nMAssay Description:Inhibition of Dihydrofolate reductase of Toxoplasma gondiiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of recombinant human DHFR expressed in Escherichia coli preincubated for 15 mins followed by addition of DHF as substrate and NADPH measur...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 230nMAssay Description:Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18512(cid_4993 | CHEMBL36 | 5-(4-chlorophenyl)-6-ethylpy...)
Affinity DataIC50: 400nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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