BDBM18792 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine::CHEMBL747::Chlorazin::Cycloguanil

SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1

InChI Key InChIKey=QMNFFXRFOJIOKZ-UHFFFAOYSA-N

Data  29 KI  13 IC50  1 Kd  1 EC50

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 18792   

TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 2.09E+4nMAssay Description:Inhibition of Escherichia coli DHFR assessed as NADP formationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKd:  1.18E+4nMAssay Description:Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Rat)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 110nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liver.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 450nMAssay Description:Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii at 37 centigrade.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTrace amine-associated receptor 5(Mouse)
University of Genoa

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 5.80E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 3.70E+3nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase A16V/S108T (T9/94RC17) mutantMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 40nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
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
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 3.79E+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
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataIC50: 2.40E+3nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R/S108N (K1CB1) mutantMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Mahidol University

LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  0.300nM ΔG°:  -13.0kcal/mole IC50: 37nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.10nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(malaria parasite P. falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.5nMAssay Description:Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.60nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  2.60nMAssay Description:Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  2.60nMAssay Description:Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  6.20nM ΔG°:  -11.2kcal/mole IC50: 2.40E+3nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  23nMAssay Description:Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  31.4nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  55.6nMAssay Description:Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  82nMAssay Description:Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  110nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Chicken)
TBA

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  112nMAssay Description:Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  254nM ΔG°:  -8.99kcal/mole IC50: 1.00E+5nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  285nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  410nMAssay Description:Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  420nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  570nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  631nMAssay Description:Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  730nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Escherichia coli)
Georgia Institute of Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.02E+3nMAssay Description:Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.14E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T](malaria parasite P. falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.31E+3nMAssay Description:Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.31E+3nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  2.13E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutationsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.74E+4nMAssay Description:Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  4.30E+4nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM18792(Chlorazin | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-di...)
Affinity DataKi:  1.09E+5nMAssay Description:Inhibition of Pneumocystis carinii DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed