BDBM50138950 6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine::6-[3-(4-Chloro-phenoxy)-phenyl]-1-(4-chloro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL352195

SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(Oc2ccc(Cl)cc2)c1

InChI Key InChIKey=XUIBIPYYOOBIOH-UHFFFAOYSA-N

Data  5 KI  6 IC50

  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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50138950   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataKi:  7.5nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataKi:  85.5nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataKi:  121nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataKi:  151nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataIC50: 420nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase A16V/S108T (T9/94RC17) mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataIC50: 2.80E+3nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase wild type (TM4/8.2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataIC50: 3.30E+3nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R/S108N (K1CB1) mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataIC50: 3.80E+3nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataIC50: 4.00E+3nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase N51I/C59R/S108N (W2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50138950(6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...)
Affinity DataIC50: 4.00E+3nMAssay Description:In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R+S108N/I164L (Csl-2) mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed