BDBM50090071 1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL13636

SMILES: CC1N=C(N)N=C(N)N1c1cccc(Cl)c1

InChI Key: InChIKey=CXDXEQLVIUNPDR-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50090071   

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 (isolate K1 / Thailand))	BDBM50090071 (1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-3-7(11)5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	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 Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090071 (1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-3-7(11)5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	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 Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090071 (1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-3-7(11)5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	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 Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum)	BDBM50090071 (1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-3-7(11)5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.2	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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090071 (1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-3-7(11)5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.3	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 Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair
Dihydrofolate reductase (A16V+S108T) (Plasmodium falciparum)	BDBM50090071 (1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-3-7(11)5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38.7	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 Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs 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-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090071 (1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-3-7(11)5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	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 Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.				J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J
					More data for this Ligand-Target Pair