BDBM50130317 CHEMBL95725::methyl 3-{5-[(1E)-N-(aminocarbonyl)ethanehydrazonoyl]-2-furyl}thiophene-2-carboxylate

SMILES COC(=O)c1sccc1-c1ccc(o1)C(C)=NNC(N)=O

InChI Key InChIKey=AFCQMXUQLBHIRF-UHFFFAOYSA-N

Data  7 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50130317   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Università

Curated by ChEMBL
LigandPNGBDBM50130317(methyl 3-{5-[(1E)-N-(aminocarbonyl)ethanehydrazono...)
Affinity DataKi:  4.20E+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
LigandPNGBDBM50130317(methyl 3-{5-[(1E)-N-(aminocarbonyl)ethanehydrazono...)
Affinity DataKi:  7.50E+3nMAssay 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
LigandPNGBDBM50130317(methyl 3-{5-[(1E)-N-(aminocarbonyl)ethanehydrazono...)
Affinity DataKi:  9.70E+3nMAssay 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
LigandPNGBDBM50130317(methyl 3-{5-[(1E)-N-(aminocarbonyl)ethanehydrazono...)
Affinity DataKi:  1.53E+4nMAssay 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
LigandPNGBDBM50130317(methyl 3-{5-[(1E)-N-(aminocarbonyl)ethanehydrazono...)
Affinity DataKi:  1.60E+4nMAssay 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
LigandPNGBDBM50130317(methyl 3-{5-[(1E)-N-(aminocarbonyl)ethanehydrazono...)
Affinity DataKi:  1.97E+4nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Università

Curated by ChEMBL
LigandPNGBDBM50130317(methyl 3-{5-[(1E)-N-(aminocarbonyl)ethanehydrazono...)
Affinity DataKi:  2.00E+4nMAssay 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