BDBM50090047 1-(4-Chloro-phenyl)-6-propyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL90703

SMILES: CCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1

InChI Key: InChIKey=KEBULEDONBRZLH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50090047   

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum)	BDBM50090047 (1-(4-Chloro-phenyl)-6-propyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:4,7| Show InChI InChI=1S/C12H16ClN5/c1-2-3-10-16-11(14)17-12(15)18(10)9-6-4-8(13)5-7-9/h4-7,10H,2-3H2,1H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2P55MRR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (A16V+S108T) (Plasmodium falciparum)	BDBM50090047 (1-(4-Chloro-phenyl)-6-propyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:4,7| Show InChI InChI=1S/C12H16ClN5/c1-2-3-10-16-11(14)17-12(15)18(10)9-6-4-8(13)5-7-9/h4-7,10H,2-3H2,1H3,(H4,14,15,16,17)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Evaluated for inhibition constant (Ki mut) against A16V+S108T Mutant dihydrofolate reductase of Plasmodium falciparum				J Med Chem 43: 2738-44 (2000) BindingDB Entry DOI: 10.7270/Q2P55MRR
					More data for this Ligand-Target Pair