BDBM50151128 4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzamidine::CHEMBL186838

SMILES O[N-]C(=[NH2+])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(c1)[N+]([O-])=O

InChI Key InChIKey=KNDCYDMDONKZLC-UHFFFAOYSA-O

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 = 50151128   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Università

Curated by ChEMBL
LigandPNGBDBM50151128(4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...)
Affinity DataKi:  1.70E+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
LigandPNGBDBM50151128(4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...)
Affinity DataKi:  2.40E+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
LigandPNGBDBM50151128(4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...)
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
LigandPNGBDBM50151128(4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...)
Affinity DataKi:  9.80E+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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Università

Curated by ChEMBL
LigandPNGBDBM50151128(4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...)
Affinity DataKi:  2.22E+4nMAssay 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
LigandPNGBDBM50151128(4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...)
Affinity DataKi:  3.26E+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
LigandPNGBDBM50151128(4-(3,5-Dichloro-phenoxy)-N-hydroxy-3-nitro-benzami...)
Affinity DataKi:  3.68E+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