BDBM50130321 (1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}ethan-1-one thiosemicarbazone::CHEMBL97598

SMILES CC(=NNC(N)=S)c1ccc(Oc2c(Cl)cncc2Cl)cc1

InChI Key InChIKey=ZAKRNKMZQWVQEU-UHFFFAOYSA-N

Data  7 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50130321   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Università

Curated by ChEMBL
LigandPNGBDBM50130321((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...)
Affinity DataKi:  600nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutationsMore 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)
Università

Curated by ChEMBL
LigandPNGBDBM50130321((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...)
Affinity DataKi:  700nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutationMore 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)
Università

Curated by ChEMBL
LigandPNGBDBM50130321((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...)
Affinity DataKi:  900nMAssay Description:Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)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)
Università

Curated by ChEMBL
LigandPNGBDBM50130321((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutationMore 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)
Università

Curated by ChEMBL
LigandPNGBDBM50130321((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseMore 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)
Università

Curated by ChEMBL
LigandPNGBDBM50130321((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...)
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutationsMore 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)
Università

Curated by ChEMBL
LigandPNGBDBM50130321((1E)-1-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}et...)
Affinity DataKi:  2.10E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutationsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed