Compile Data Set for Download or QSAR

Found 2225 hits with Last Name = 'perez' and Initial = 'l'   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077798 (2-{4-[(3-Carboxy-propyl)-(2,4-diamino-pteridin-6-y...) Show SMILES Nc1nc(N)c2nc(CN(CCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C23H26N8O7/c24-19-18-20(30-23(25)29-19)26-10-13(27-18)11-31(9-1-2-16(32)33)14-5-3-12(4-6-14)21(36)28-15(22(37)38)7-8-17(34)35/h3-6,10,15H,1-2,7-9,11H2,(H,28,36)(H,32,33)(H,34,35)(H,37,38)(H4,24,25,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077796 (2-{4-[(4-Carboxy-butyl)-(2,4-diamino-pteridin-6-yl...) Show SMILES Nc1nc(N)c2nc(CN(CCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C24H28N8O7/c25-20-19-21(31-24(26)30-20)27-11-14(28-19)12-32(10-2-1-3-17(33)34)15-6-4-13(5-7-15)22(37)29-16(23(38)39)8-9-18(35)36/h4-7,11,16H,1-3,8-10,12H2,(H,29,37)(H,33,34)(H,35,36)(H,38,39)(H4,25,26,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	0.179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase in humans				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077799 (2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...) Show SMILES Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C25H30N8O7/c26-21-20-22(32-25(27)31-21)28-12-15(29-20)13-33(11-3-1-2-4-18(34)35)16-7-5-14(6-8-16)23(38)30-17(24(39)40)9-10-19(36)37/h5-8,12,17H,1-4,9-11,13H2,(H,30,38)(H,34,35)(H,36,37)(H,39,40)(H4,26,27,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077796 (2-{4-[(4-Carboxy-butyl)-(2,4-diamino-pteridin-6-yl...) Show SMILES Nc1nc(N)c2nc(CN(CCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C24H28N8O7/c25-20-19-21(31-24(26)30-20)27-11-14(28-19)12-32(10-2-1-3-17(33)34)15-6-4-13(5-7-15)22(37)29-16(23(38)39)8-9-18(35)36/h4-7,11,16H,1-3,8-10,12H2,(H,29,37)(H,33,34)(H,35,36)(H,38,39)(H4,25,26,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase in humans				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077799 (2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...) Show SMILES Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C25H30N8O7/c26-21-20-22(32-25(27)31-21)28-12-15(29-20)13-33(11-3-1-2-4-18(34)35)16-7-5-14(6-8-16)23(38)30-17(24(39)40)9-10-19(36)37/h5-8,12,17H,1-4,9-11,13H2,(H,30,38)(H,34,35)(H,36,37)(H,39,40)(H4,26,27,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077798 (2-{4-[(3-Carboxy-propyl)-(2,4-diamino-pteridin-6-y...) Show SMILES Nc1nc(N)c2nc(CN(CCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C23H26N8O7/c24-19-18-20(30-23(25)29-19)26-10-13(27-18)11-31(9-1-2-16(32)33)14-5-3-12(4-6-14)21(36)28-15(22(37)38)7-8-17(34)35/h3-6,10,15H,1-2,7-9,11H2,(H,28,36)(H,32,33)(H,34,35)(H,37,38)(H4,24,25,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase in humans				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081918 (5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) Show SMILES CCCOc1ccc(Cc2cnc(N)nc2N)cc1 Show InChI InChI=1S/C14H18N4O/c1-2-7-19-12-5-3-10(4-6-12)8-11-9-17-14(16)18-13(11)15/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081916 (5-(3-Pentyloxy-benzyl)-pyrimidine-2,4-diamine | CH...) Show SMILES CCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C16H22N4O/c1-2-3-4-8-21-14-7-5-6-12(10-14)9-13-11-19-16(18)20-15(13)17/h5-7,10-11H,2-4,8-9H2,1H3,(H4,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081907 (5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-4-9(7-11)6-10-8-16-13(15)17-12(10)14/h3-5,7-8H,2,6H2,1H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081922 (5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...) Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) Show SMILES COc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C12H14N4O/c1-17-10-4-2-3-8(6-10)5-9-7-15-12(14)16-11(9)13/h2-4,6-7H,5H2,1H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081917 (5-(3-Hexyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-9-22-15-8-6-7-13(11-15)10-14-12-20-17(19)21-16(14)18/h6-8,11-12H,2-5,9-10H2,1H3,(H4,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081921 (5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCOc1ccc(Cc2cnc(N)nc2N)cc1 Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081920 (5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081915 (5-[3-(Tetrahydro-pyran-2-yloxy)-benzyl]-pyrimidine...) Show SMILES Nc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1 Show InChI InChI=1S/C16H20N4O2/c17-15-12(10-19-16(18)20-15)8-11-4-3-5-13(9-11)22-14-6-1-2-7-21-14/h3-5,9-10,14H,1-2,6-8H2,(H4,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077794 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(3-ethoxyc...) Show SMILES CCOC(=O)CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C29H38N8O7/c1-4-42-22(38)8-7-15-37(17-19-16-32-26-24(33-19)25(30)35-29(31)36-26)20-11-9-18(10-12-20)27(40)34-21(28(41)44-6-3)13-14-23(39)43-5-2/h9-12,16,21H,4-8,13-15,17H2,1-3H3,(H,34,40)(H4,30,31,32,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081906 (6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1 Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081922 (5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...) Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081910 (5-(3-Octyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C19H28N4O/c1-2-3-4-5-6-7-11-24-17-10-8-9-15(13-17)12-16-14-22-19(21)23-18(16)20/h8-10,13-14H,2-7,11-12H2,1H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081911 (5-(3-Nonyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C20H30N4O/c1-2-3-4-5-6-7-8-12-25-18-11-9-10-16(14-18)13-17-15-23-20(22)24-19(17)21/h9-11,14-15H,2-8,12-13H2,1H3,(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#16]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077797 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(4-ethoxyc...) Show SMILES CCOC(=O)CCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C30H40N8O7/c1-4-43-23(39)9-7-8-16-38(18-20-17-33-27-25(34-20)26(31)36-30(32)37-27)21-12-10-19(11-13-21)28(41)35-22(29(42)45-6-3)14-15-24(40)44-5-2/h10-13,17,22H,4-9,14-16,18H2,1-3H3,(H,35,41)(H4,31,32,33,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081906 (6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1 Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081913 (5-(3-Decyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C21H32N4O/c1-2-3-4-5-6-7-8-9-13-26-19-12-10-11-17(15-19)14-18-16-24-21(23)25-20(18)22/h10-12,15-16H,2-9,13-14H2,1H3,(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077795 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(5-ethoxyc...) Show SMILES CCOC(=O)CCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C31H42N8O7/c1-4-44-24(40)10-8-7-9-17-39(19-21-18-34-28-26(35-21)27(32)37-31(33)38-28)22-13-11-20(12-14-22)29(42)36-23(30(43)46-6-3)15-16-25(41)45-5-2/h11-14,18,23H,4-10,15-17,19H2,1-3H3,(H,36,42)(H4,32,33,34,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Squalene synthase (Trypanosoma cruzi)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi squalene synthase				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081909 (5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...) Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081912 (5-(3-Heptyloxy-benzyl)-6-methyl-pyrimidine-2,4-dia...) Show SMILES CCCCCCCOc1cccc(Cc2c(C)nc(N)nc2N)c1 Show InChI InChI=1S/C19H28N4O/c1-3-4-5-6-7-11-24-16-10-8-9-15(12-16)13-17-14(2)22-19(21)23-18(17)20/h8-10,12H,3-7,11,13H2,1-2H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081915 (5-[3-(Tetrahydro-pyran-2-yloxy)-benzyl]-pyrimidine...) Show SMILES Nc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1 Show InChI InChI=1S/C16H20N4O2/c17-15-12(10-19-16(18)20-15)8-11-4-3-5-13(9-11)22-14-6-1-2-7-21-14/h3-5,9-10,14H,1-2,6-8H2,(H4,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081910 (5-(3-Octyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C19H28N4O/c1-2-3-4-5-6-7-11-24-17-10-8-9-15(13-17)12-16-14-22-19(21)23-18(16)20/h8-10,13-14H,2-7,11-12H2,1H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081921 (5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCOc1ccc(Cc2cnc(N)nc2N)cc1 Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081920 (5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081914 (5-(3-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...) Show SMILES CCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C18H26N4O/c1-2-3-4-5-6-10-23-16-9-7-8-14(12-16)11-15-13-21-18(20)22-17(15)19/h7-9,12-13H,2-6,10-11H2,1H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077794 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(3-ethoxyc...) Show SMILES CCOC(=O)CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C29H38N8O7/c1-4-42-22(38)8-7-15-37(17-19-16-32-26-24(33-19)25(30)35-29(31)36-26)20-11-9-18(10-12-20)27(40)34-21(28(41)44-6-3)13-14-23(39)43-5-2/h9-12,16,21H,4-8,13-15,17H2,1-3H3,(H,34,40)(H4,30,31,32,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase in humans				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081916 (5-(3-Pentyloxy-benzyl)-pyrimidine-2,4-diamine | CH...) Show SMILES CCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C16H22N4O/c1-2-3-4-8-21-14-7-5-6-12(10-14)9-13-11-19-16(18)20-15(13)17/h5-7,10-11H,2-4,8-9H2,1H3,(H4,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081907 (5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-4-9(7-11)6-10-8-16-13(15)17-12(10)14/h3-5,7-8H,2,6H2,1H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081922 (5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...) Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081917 (5-(3-Hexyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-9-22-15-8-6-7-13(11-15)10-14-12-20-17(19)21-16(14)18/h6-8,11-12H,2-5,9-10H2,1H3,(H4,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055642 (2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (Plasmodium falciparum)	BDBM50190543 (1-((2R,4S,5R)-4-hydroxy-5-((tritylamino)methyl)-te...) Show SMILES O[C@H]1C[C@@H](O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Cardiff Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum dUTPase				Eur J Med Chem 44: 678-88 (2009) Article DOI: 10.1016/j.ejmech.2008.05.018 BindingDB Entry DOI: 10.7270/Q20K28CG
					More data for this Ligand-Target Pair				3D Structure (crystal)

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