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BDBM50090062 1-(3,4-Dichloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL93153

InChI string: InChI=1S/C10H11Cl2N5/c1-5-15-9(13)16-10(14)17(5)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H4,13,14,15,16)

SMILES: CC1N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ZEOIMTZUCPVMBV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50090062   
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)
BDBM50090062
PNG
(1-(3,4-Dichloro-phenyl)-6-methyl-1,6-dihydro-[1,3,...)
Show SMILES CC1N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H11Cl2N5/c1-5-15-9(13)16-10(14)17(5)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H4,13,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Similars

AffyNet 
PubMed
1.40n/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 (A16V+S108T)


(Plasmodium falciparum)
BDBM50090062
PNG
(1-(3,4-Dichloro-phenyl)-6-methyl-1,6-dihydro-[1,3,...)
Show SMILES CC1N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H11Cl2N5/c1-5-15-9(13)16-10(14)17(5)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H4,13,14,15,16)
PDB
MMDB

KEGG

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

Similars

AffyNet 
PubMed
17.8n/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