Compile Data Set for Download or QSAR

Found 361 hits Enz. Inhib. hit(s) with all data for entry = 50014165   

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 (isolate K1 / Thailand))	BDBM18778 (CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...) Show SMILES COC(=O)CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H17ClN4O2/c1-22-12(21)4-2-3-11-13(14(17)20-15(18)19-11)9-5-7-10(16)8-6-9/h5-8H,2-4H2,1H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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 (isolate K1 / Thailand))	BDBM50138945 (1-(3-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihyd...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1| Show InChI InChI=1S/C21H18ClN5O/c22-15-5-4-6-16(13-15)27-19(25-20(23)26-21(27)24)14-9-11-18(12-10-14)28-17-7-2-1-3-8-17/h1-13,19H,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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))	BDBM18790 (6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...) Show SMILES CCCCCCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	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 (isolate K1 / Thailand))	BDBM50138952 (1-(3-Chloro-phenyl)-6-heptyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CCCCCCCC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:8,11| Show InChI InChI=1S/C16H24ClN5/c1-2-3-4-5-6-10-14-20-15(18)21-16(19)22(14)13-9-7-8-12(17)11-13/h7-9,11,14H,2-6,10H2,1H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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))	BDBM18779 (6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(C)cc1 Show InChI InChI=1S/C13H16N4/c1-3-10-11(12(14)17-13(15)16-10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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				3D Structure (docked)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138962 (1-(4-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihyd...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1| Show InChI InChI=1S/C21H18ClN5O/c22-15-8-10-16(11-9-15)27-19(25-20(23)26-21(27)24)14-6-12-18(13-7-14)28-17-4-2-1-3-5-17/h1-13,19H,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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 (isolate K1 / Thailand))	BDBM18787 (5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]py...) Show SMILES Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	0.400	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 (isolate K1 / Thailand))	BDBM18790 (6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...) Show SMILES CCCCCCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.400	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))	BDBM18791 (5-phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine ...) Show SMILES Nc1nc(N)c(-c2ccccc2)c(CCCc2ccccc2)n1 Show InChI InChI=1S/C19H20N4/c20-18-17(15-11-5-2-6-12-15)16(22-19(21)23-18)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 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 (isolate K1 / Thailand))	BDBM50138965 (1-(4-Chloro-phenyl)-6-(3-phenoxy-phenyl)-1,6-dihyd...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(Oc2ccccc2)c1 |c:6,t:1| Show InChI InChI=1S/C21H18ClN5O/c22-15-9-11-16(12-10-15)27-19(25-20(23)26-21(27)24)14-5-4-8-18(13-14)28-17-6-2-1-3-7-17/h1-13,19H,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 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 (isolate K1 / Thailand))	BDBM50138951 (1-(3-Chloro-phenyl)-6-(4-propoxy-phenyl)-1,6-dihyd...) Show SMILES CCCOc1ccc(cc1)C1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:12,15| Show InChI InChI=1S/C18H20ClN5O/c1-2-10-25-15-8-6-12(7-9-15)16-22-17(20)23-18(21)24(16)14-5-3-4-13(19)11-14/h3-9,11,16H,2,10H2,1H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 (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))	BDBM50110767 (4-[2,6-Diamino-5-(3-chloro-phenyl)-pyrimidin-4-yl]...) Show SMILES COC(=O)CCCc1nc(N)nc(N)c1-c1cccc(Cl)c1 Show InChI InChI=1S/C15H17ClN4O2/c1-22-12(21)7-3-6-11-13(14(17)20-15(18)19-11)9-4-2-5-10(16)8-9/h2,4-5,8H,3,6-7H2,1H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 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 (isolate K1 / Thailand))	BDBM50138961 (1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.600	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				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50110759 (4-(2,6-Diamino-5-phenyl-pyrimidin-4-yl)-butyric ac...) Show SMILES COC(=O)CCCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C15H18N4O2/c1-21-12(20)9-5-8-11-13(10-6-3-2-4-7-10)14(16)19-15(17)18-11/h2-4,6-7H,5,8-9H2,1H3,(H4,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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 (isolate K1 / Thailand))	BDBM50138953 (1-(4-Chloro-phenyl)-6-hexyl-6-methyl-1,6-dihydro-[...) Show SMILES CCCCCCC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:8,11| Show InChI InChI=1S/C16H24ClN5/c1-3-4-5-6-11-16(2)21-14(18)20-15(19)22(16)13-9-7-12(17)8-10-13/h7-10H,3-6,11H2,1-2H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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 (isolate K1 / Thailand))	BDBM50138946 (1-(3-Chloro-phenyl)-6-[3-(3-trifluoromethyl-phenox...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cccc(c2)C(F)(F)F)c1 |c:6,t:1| Show InChI InChI=1S/C22H17ClF3N5O/c23-15-6-3-7-16(12-15)31-19(29-20(27)30-21(31)28)13-4-1-8-17(10-13)32-18-9-2-5-14(11-18)22(24,25)26/h1-12,19H,(H4,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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))	BDBM50138964 (6-(3-Benzyloxy-phenyl)-1-(4-chloro-phenyl)-1,6-dih...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 |c:6,t:1| Show InChI InChI=1S/C22H20ClN5O/c23-17-9-11-18(12-10-17)28-20(26-21(24)27-22(28)25)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-13,20H,14H2,(H4,24,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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 (isolate K1 / Thailand))	BDBM18790 (6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...) Show SMILES CCCCCCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.700	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))	BDBM50138945 (1-(3-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihyd...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1| Show InChI InChI=1S/C21H18ClN5O/c22-15-5-4-6-16(13-15)27-19(25-20(23)26-21(27)24)14-9-11-18(12-10-14)28-17-7-2-1-3-8-17/h1-13,19H,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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 (isolate K1 / Thailand))	BDBM50110772 (5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine...) Show SMILES Nc1nc(N)c(c(CCCc2ccccc2)n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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 (isolate K1 / Thailand))	BDBM50138949 (Benzoic acid 3-(2,6-diamino-5-phenyl-pyrimidin-4-y...) Show SMILES Nc1nc(N)c(c(CCCOC(=O)c2ccccc2)n1)-c1ccccc1 Show InChI InChI=1S/C20H20N4O2/c21-18-17(14-8-3-1-4-9-14)16(23-20(22)24-18)12-7-13-26-19(25)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H4,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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))	BDBM18787 (5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]py...) Show SMILES Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	0.700	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))	BDBM50110767 (4-[2,6-Diamino-5-(3-chloro-phenyl)-pyrimidin-4-yl]...) Show SMILES COC(=O)CCCc1nc(N)nc(N)c1-c1cccc(Cl)c1 Show InChI InChI=1S/C15H17ClN4O2/c1-22-12(21)7-3-6-11-13(14(17)20-15(18)19-11)9-4-2-5-10(16)8-9/h2,4-5,8H,3,6-7H2,1H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	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))	BDBM50138952 (1-(3-Chloro-phenyl)-6-heptyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CCCCCCCC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:8,11| Show InChI InChI=1S/C16H24ClN5/c1-2-3-4-5-6-10-14-20-15(18)21-16(19)22(14)13-9-7-8-12(17)11-13/h7-9,11,14H,2-6,10H2,1H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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))	BDBM50138957 (CHEMBL352441 | Carbonic acid benzyl ester 3-[2,6-d...) Show SMILES Nc1nc(N)c(c(CCCOC(=O)OCc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H21ClN4O3/c22-16-9-4-8-15(12-16)18-17(25-20(24)26-19(18)23)10-5-11-28-21(27)29-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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))	BDBM50138960 (3-(2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl)pr...) Show SMILES Nc1nc(N)c(c(CCCOC(=O)c2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H19ClN4O2/c21-15-9-4-8-14(12-15)17-16(24-20(23)25-18(17)22)10-5-11-27-19(26)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H4,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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))	BDBM50138960 (3-(2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl)pr...) Show SMILES Nc1nc(N)c(c(CCCOC(=O)c2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H19ClN4O2/c21-15-9-4-8-14(12-15)17-16(24-20(23)25-18(17)22)10-5-11-27-19(26)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H4,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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))	BDBM18784 (5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1cccc(Cl)c1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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 (isolate K1 / Thailand))	BDBM50138945 (1-(3-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihyd...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1| Show InChI InChI=1S/C21H18ClN5O/c22-15-5-4-6-16(13-15)27-19(25-20(23)26-21(27)24)14-9-11-18(12-10-14)28-17-7-2-1-3-8-17/h1-13,19H,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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))	BDBM50138961 (1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50138952 (1-(3-Chloro-phenyl)-6-heptyl-1,6-dihydro-[1,3,5]tr...) Show SMILES CCCCCCCC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:8,11| Show InChI InChI=1S/C16H24ClN5/c1-2-3-4-5-6-10-14-20-15(18)21-16(19)22(14)13-9-7-8-12(17)11-13/h7-9,11,14H,2-6,10H2,1H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM18783 (5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diami...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	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				3D Structure (docked)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50138967 (1-(3-Chloro-phenyl)-6-(3-phenoxy-phenyl)-1,6-dihyd...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2ccccc2)c1 |c:6,t:1| Show InChI InChI=1S/C21H18ClN5O/c22-15-7-5-8-16(13-15)27-19(25-20(23)26-21(27)24)14-6-4-11-18(12-14)28-17-9-2-1-3-10-17/h1-13,19H,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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 (isolate K1 / Thailand))	BDBM50110775 (5-Benzo[1,3]dioxol-5-yl-6-ethyl-pyrimidine-2,4-dia...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C13H14N4O2/c1-2-8-11(12(14)17-13(15)16-8)7-3-4-9-10(5-7)19-6-18-9/h3-5H,2,6H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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 (isolate K1 / Thailand))	BDBM18791 (5-phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine ...) Show SMILES Nc1nc(N)c(-c2ccccc2)c(CCCc2ccccc2)n1 Show InChI InChI=1S/C19H20N4/c20-18-17(15-11-5-2-6-12-15)16(22-19(21)23-18)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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))	BDBM50138957 (CHEMBL352441 | Carbonic acid benzyl ester 3-[2,6-d...) Show SMILES Nc1nc(N)c(c(CCCOC(=O)OCc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H21ClN4O3/c22-16-9-4-8-15(12-16)18-17(25-20(24)26-19(18)23)10-5-11-28-21(27)29-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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))	BDBM50138957 (CHEMBL352441 | Carbonic acid benzyl ester 3-[2,6-d...) Show SMILES Nc1nc(N)c(c(CCCOC(=O)OCc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H21ClN4O3/c22-16-9-4-8-15(12-16)18-17(25-20(24)26-19(18)23)10-5-11-28-21(27)29-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 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 (isolate K1 / Thailand))	BDBM18786 (5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,...) Show SMILES Nc1nc(N)c(c(CCCc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN4/c20-15-10-5-9-14(12-15)17-16(23-19(22)24-18(17)21)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H4,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 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 (isolate K1 / Thailand))	BDBM50138963 (6-(3-(4-chlorophenoxy)phenyl)-1-(3-chlorophenyl)-1...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2ccc(Cl)cc2)c1 |c:6,t:1| Show InChI InChI=1S/C21H17Cl2N5O/c22-14-7-9-17(10-8-14)29-18-6-1-3-13(11-18)19-26-20(24)27-21(25)28(19)16-5-2-4-15(23)12-16/h1-12,19H,(H4,24,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 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 (isolate K1 / Thailand))	BDBM18787 (5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]py...) Show SMILES Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	1.30	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 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))	BDBM50138945 (1-(3-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihyd...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1| Show InChI InChI=1S/C21H18ClN5O/c22-15-5-4-6-16(13-15)27-19(25-20(23)26-21(27)24)14-9-11-18(12-10-14)28-17-7-2-1-3-8-17/h1-13,19H,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 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))	BDBM50110762 (5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl...) Show SMILES COc1ccc(CCCc2nc(N)nc(N)c2-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C20H21ClN4O/c1-26-16-10-8-13(9-11-16)4-2-7-17-18(19(22)25-20(23)24-17)14-5-3-6-15(21)12-14/h3,5-6,8-12H,2,4,7H2,1H3,(H4,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 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))	BDBM18790 (6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...) Show SMILES CCCCCCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article 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 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))	BDBM50138950 (6-(3-(4-chlorophenoxy)phenyl)-1-(4-chlorophenyl)-1...) Show SMILES NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1cccc(Oc2ccc(Cl)cc2)c1 |c:6,t:1| Show InChI InChI=1S/C21H17Cl2N5O/c22-14-4-8-16(9-5-14)28-19(26-20(24)27-21(28)25)13-2-1-3-18(12-13)29-17-10-6-15(23)7-11-17/h1-12,19H,(H4,24,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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 (isolate K1 / Thailand))	BDBM50138960 (3-(2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl)pr...) Show SMILES Nc1nc(N)c(c(CCCOC(=O)c2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H19ClN4O2/c21-15-9-4-8-14(12-15)17-16(24-20(23)25-18(17)22)10-5-11-27-19(26)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H4,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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 (isolate K1 / Thailand))	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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article 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 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				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18787 (5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]py...) Show SMILES Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	1.70	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 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))	BDBM50110767 (4-[2,6-Diamino-5-(3-chloro-phenyl)-pyrimidin-4-yl]...) Show SMILES COC(=O)CCCc1nc(N)nc(N)c1-c1cccc(Cl)c1 Show InChI InChI=1S/C15H17ClN4O2/c1-22-12(21)7-3-6-11-13(14(17)20-15(18)19-11)9-4-2-5-10(16)8-9/h2,4-5,8H,3,6-7H2,1H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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))	BDBM50138961 (1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...) Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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

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