BDBM50090063 1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::1-(3-chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine::CHEMBL329687

SMILES: NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1

InChI Key: InChIKey=XWGKYMBFBXACSF-UHFFFAOYSA-N

Data: 7 KI  6 IC50

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 13 hits for monomerid = 50090063   

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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.5	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.7	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 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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11.7	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 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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	217	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	984	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with wild type dihydrofolate reductase (TM4/8.2).				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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant A16V+S108T (T9/94RC17) dihydrofolate reductase.				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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant N51I+C59R+S108N (W2) dihydrofolate reductase.				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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N+I164L (Csl-2) dihydrofolate reductase.				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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant CN51I+C59R+S108N+I164L (V1/S) dihydrofolate reductase.				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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50090063 (1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-7-4-8-12(9-11)21-13(10-5-2-1-3-6-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N (K1CB1) dihydrofolate reductase.				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