BDBM50130325 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzaldehyde thiosemicarbazone::CHEMBL94470

SMILES NC(=S)NN=Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1

InChI Key InChIKey=KNKPKVLPPSVQLN-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 = 50130325   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130325(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...)
Affinity DataKi:  2.30E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130325(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...)
Affinity DataKi:  5.20E+3nMAssay Description:Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130325(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...)
Affinity DataKi:  6.80E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130325(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...)
Affinity DataKi:  9.00E+3nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130325(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...)
Affinity DataKi:  9.30E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130325(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...)
Affinity DataKi:  1.25E+4nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130325(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}b...)
Affinity DataKi:  3.40E+4nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutationsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed