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BDBM50090073 1-(4-Fluoro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL93001

InChI string: InChI=1S/C9H10FN5/c10-6-1-3-7(4-2-6)15-5-13-8(11)14-9(15)12/h1-4H,5H2,(H4,11,12,13,14)

SMILES: NC1=NCN(C(N)=N1)c1ccc(F)cc1

InChI Key: InChIKey=UZPCXRZSRCSFOL-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50090073   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum)
BDBM50090073
PNG
(1-(4-Fluoro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,...)
Show SMILES NC1=NCN(C(N)=N1)c1ccc(F)cc1
Show InChI InChI=1S/C9H10FN5/c10-6-1-3-7(4-2-6)15-5-13-8(11)14-9(15)12/h1-4H,5H2,(H4,11,12,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
270n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparum


J Med Chem 43: 2738-44 (2000)

More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50090073
PNG
(1-(4-Fluoro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,...)
Show SMILES NC1=NCN(C(N)=N1)c1ccc(F)cc1
Show InChI InChI=1S/C9H10FN5/c10-6-1-3-7(4-2-6)15-5-13-8(11)14-9(15)12/h1-4H,5H2,(H4,11,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
270n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition constant against Plasmodium falciparum dihydrofolate reductase


J Med Chem 47: 4258-67 (2004)

Checked by Author
More data for this
Ligand-Target Pair
Dihydrofolate reductase (A16V+S108T)


(Plasmodium falciparum)
BDBM50090073
PNG
(1-(4-Fluoro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,...)
Show SMILES NC1=NCN(C(N)=N1)c1ccc(F)cc1
Show InChI InChI=1S/C9H10FN5/c10-6-1-3-7(4-2-6)15-5-13-8(11)14-9(15)12/h1-4H,5H2,(H4,11,12,13,14)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
469n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparum


J Med Chem 43: 2738-44 (2000)

More data for this
Ligand-Target Pair