Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'chareonsethakul' and Initial = 'n'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090075 (1-(4-Bromo-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:3,6| Show InChI InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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 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)	BDBM50090069 (1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	1.10	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 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)	BDBM50090062 (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 |t:2,5| 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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	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)	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.5	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 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				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090056 (1-(3,4-Dichloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)c(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H13Cl2N5/c16-11-7-6-10(8-12(11)17)22-13(9-4-2-1-3-5-9)20-14(18)21-15(22)19/h1-8,13H,(H4,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	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)	BDBM50090049 (1-(4-Bromo-phenyl)-6-propyl-1,6-dihydro-[1,3,5]tri...) Show SMILES CCCC1N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:4,7| Show InChI InChI=1S/C12H16BrN5/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	2.60	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090060 (1-(4-Bromo-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tri...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Br)cc1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14BrN5/c16-11-6-8-12(9-7-11)21-13(10-4-2-1-3-5-10)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	2.90	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 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)	BDBM50090064 (1-(4-Chloro-phenyl)-6-ethyl-1,6-dihydro-[1,3,5]tri...) Show SMILES CCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090048 (6-Butyl-1-(4-chloro-phenyl)-1,6-dihydro-[1,3,5]tri...) Show SMILES CCCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:5,8| Show InChI InChI=1S/C13H18ClN5/c1-2-3-4-11-17-12(15)18-13(16)19(11)10-7-5-9(14)6-8-10/h5-8,11H,2-4H2,1H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	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)	BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	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)	BDBM50090076 (1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-7(11)3-5-8/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	4.10	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 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)	BDBM50090070 (1-(4-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-6-8-12(9-7-11)21-13(10-4-2-1-3-5-10)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	4.5	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 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)	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090050 (1-(4-Fluoro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(F)cc1 |t:3,6| Show InChI InChI=1S/C11H14FN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090066 (1-(4-Bromo-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tri...) Show SMILES CC1N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:2,5| Show InChI InChI=1S/C10H12BrN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-7(11)3-5-8/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	5.70	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)	BDBM50090061 (1-(4-Bromo-phenyl)-6-ethyl-1,6-dihydro-[1,3,5]tria...) Show SMILES CCC1N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:3,6| Show InChI InChI=1S/C11H14BrN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	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)	BDBM50090052 (6-Ethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-...) Show SMILES CCC1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:3,6| Show InChI InChI=1S/C12H17N5/c1-3-10-15-11(13)16-12(14)17(10)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	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 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)	BDBM50090068 (6-Phenyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4...) Show SMILES Cc1ccc(cc1)N1C(N=C(N)N=C1N)c1ccccc1 |c:13,t:10| Show InChI InChI=1S/C16H17N5/c1-11-7-9-13(10-8-11)21-14(12-5-3-2-4-6-12)19-15(17)20-16(21)18/h2-10,14H,1H3,(H4,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	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 [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)	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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090056 (1-(3,4-Dichloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)c(Cl)c1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H13Cl2N5/c16-11-7-6-10(8-12(11)17)22-13(9-4-2-1-3-5-9)20-14(18)21-15(22)19/h1-8,13H,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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)	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)	BDBM50090058 (6-Propyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4...) Show SMILES CCCC1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:4,7| Show InChI InChI=1S/C13H19N5/c1-3-4-11-16-12(14)17-13(15)18(11)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3,(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	13.7	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 [A16V,S108T] (Plasmodium falciparum)	BDBM50090062 (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 |t:2,5| 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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17.8	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090067 (6,6-Dimethyl-1-phenyl-1,6-dihydro-[1,3,5]triazine-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccccc1 |t:3,6| Show InChI InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	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 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)	BDBM50090055 (6-Methyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4...) Show SMILES CC1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:2,5| Show InChI InChI=1S/C11H15N5/c1-7-3-5-9(6-4-7)16-8(2)14-10(12)15-11(16)13/h3-6,8H,1-2H3,(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	23	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)	BDBM50090072 (1-(4-Chloro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,...) Show SMILES NC1=NCN(C(N)=N1)c1ccc(Cl)cc1 |c:6,t:1| Show InChI InChI=1S/C9H10ClN5/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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24.4	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)	BDBM50090053 (1-(4-Bromo-phenyl)-6-isopropyl-1,6-dihydro-[1,3,5]...) Show SMILES CC(C)C1N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:4,7| Show InChI InChI=1S/C12H16BrN5/c1-7(2)10-16-11(14)17-12(15)18(10)9-5-3-8(13)4-6-9/h3-7,10H,1-2H3,(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	30	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 [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 UniProtKB/TrEMBL 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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090070 (1-(4-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tr...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14ClN5/c16-11-6-8-12(9-7-11)21-13(10-4-2-1-3-5-10)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	49	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)	BDBM50090065 (1-(4-Chloro-phenyl)-6-isopropyl-1,6-dihydro-[1,3,5...) Show SMILES CC(C)C1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:4,7| Show InChI InChI=1S/C12H16ClN5/c1-7(2)10-16-11(14)17-12(15)18(10)9-5-3-8(13)4-6-9/h3-7,10H,1-2H3,(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	60.5	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 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 [A16V,S108T] (Plasmodium falciparum)	BDBM50090060 (1-(4-Bromo-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]tri...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Br)cc1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C15H14BrN5/c16-11-6-8-12(9-7-11)21-13(10-4-2-1-3-5-10)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	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 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 [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 UniProtKB/TrEMBL 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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090049 (1-(4-Bromo-phenyl)-6-propyl-1,6-dihydro-[1,3,5]tri...) Show SMILES CCCC1N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:4,7| Show InChI InChI=1S/C12H16BrN5/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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	127	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 [A16V,S108T] (Plasmodium falciparum)	BDBM50090076 (1-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:2,5| Show InChI InChI=1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	127	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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090052 (6-Ethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-...) Show SMILES CCC1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:3,6| Show InChI InChI=1S/C12H17N5/c1-3-10-15-11(13)16-12(14)17(10)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	128	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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090069 (1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	131	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090059 (6-Isopropyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-...) Show SMILES CC(C)C1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:4,7| Show InChI InChI=1S/C13H19N5/c1-8(2)11-16-12(14)17-13(15)18(11)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(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	167	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 [A16V,S108T] (Plasmodium falciparum)	BDBM50090048 (6-Butyl-1-(4-chloro-phenyl)-1,6-dihydro-[1,3,5]tri...) Show SMILES CCCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:5,8| Show InChI InChI=1S/C13H18ClN5/c1-2-3-4-11-17-12(15)18-13(16)19(11)10-7-5-9(14)6-8-10/h5-8,11H,2-4H2,1H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	167	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 [A16V,S108T] (Plasmodium falciparum)	BDBM50090068 (6-Phenyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4...) Show SMILES Cc1ccc(cc1)N1C(N=C(N)N=C1N)c1ccccc1 |c:13,t:10| Show InChI InChI=1S/C16H17N5/c1-11-7-9-13(10-8-11)21-14(12-5-3-2-4-6-12)19-15(17)20-16(21)18/h2-10,14H,1H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	170	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 [A16V,S108T] (Plasmodium falciparum)	BDBM50090055 (6-Methyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4...) Show SMILES CC1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:2,5| Show InChI InChI=1S/C11H15N5/c1-7-3-5-9(6-4-7)16-8(2)14-10(12)15-11(16)13/h3-6,8H,1-2H3,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	185	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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090058 (6-Propyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4...) Show SMILES CCCC1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:4,7| Show InChI InChI=1S/C13H19N5/c1-3-4-11-16-12(14)17-13(15)18(11)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3,(H4,14,15,16,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	188	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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090064 (1-(4-Chloro-phenyl)-6-ethyl-1,6-dihydro-[1,3,5]tri...) Show SMILES CCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	189	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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090061 (1-(4-Bromo-phenyl)-6-ethyl-1,6-dihydro-[1,3,5]tria...) Show SMILES CCC1N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:3,6| Show InChI InChI=1S/C11H14BrN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	202	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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090066 (1-(4-Bromo-phenyl)-6-methyl-1,6-dihydro-[1,3,5]tri...) Show SMILES CC1N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:2,5| Show InChI InChI=1S/C10H12BrN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	202	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum)	BDBM50090073 (1-(4-Fluoro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,...) Show SMILES NC1=NCN(C(N)=N1)c1ccc(F)cc1 |c:6,t:1| 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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	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)	BDBM50090057 (1-Phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine |...) Show SMILES NC1=NCN(C(N)=N1)c1ccccc1 |c:6,t:1| Show InChI InChI=1S/C9H11N5/c10-8-12-6-14(9(11)13-8)7-4-2-1-3-5-7/h1-5H,6H2,(H4,10,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	329	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 [A16V,S108T] (Plasmodium falciparum)	BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	340	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
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] (Plasmodium falciparum)	BDBM50090073 (1-(4-Fluoro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,...) Show SMILES NC1=NCN(C(N)=N1)c1ccc(F)cc1 |c:6,t:1| 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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	469	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

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