Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'chu' and Initial = 'wk'   

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
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50004462 (CHEMBL3233329) Show SMILES NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N6OS2/c15-14(16,17)7-3-1-6(2-4-7)5-8-9(19-11(18)25)22-23-10(8)20-12(26)21-13(23)24/h1-4H,5H2,(H3,18,19,22,25)(H2,20,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidide to thymine by Li...				Eur J Med Chem 78: 294-303 (2014) Article DOI: 10.1016/j.ejmech.2014.03.063 BindingDB Entry DOI: 10.7270/Q2SF2XP4
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50004460 (CHEMBL3233327) Show SMILES Clc1ccc(cc1Cl)-c1cc2[nH]c(=S)[nH]c(=O)n2n1 Show InChI InChI=1S/C11H6Cl2N4OS/c12-6-2-1-5(3-7(6)13)8-4-9-14-10(19)15-11(18)17(9)16-8/h1-4H,(H2,14,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidide to thymine by Li...				Eur J Med Chem 78: 294-303 (2014) Article DOI: 10.1016/j.ejmech.2014.03.063 BindingDB Entry DOI: 10.7270/Q2SF2XP4
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50439105 (CHEMBL2418061) Show SMILES Clc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5OS/c12-6-2-1-5(3-7(6)13)4-8-14-9-15-10(20)16-11(19)18(9)17-8/h1-3H,4H2,(H2,14,15,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Mixed inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate by Lineweaver-Burk plot anal...				Eur J Med Chem 67: 325-34 (2013) Article DOI: 10.1016/j.ejmech.2013.06.051 BindingDB Entry DOI: 10.7270/Q2QR4ZJ0
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50439106 (CHEMBL2418074) Show SMILES Clc1ccc(cc1Cl)-c1nc2[nH]c(=S)[nH]c(=O)n2n1 Show InChI InChI=1S/C10H5Cl2N5OS/c11-5-2-1-4(3-6(5)12)7-13-8-14-9(19)15-10(18)17(8)16-7/h1-3H,(H2,13,14,15,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Mixed inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate by Lineweaver-Burk plot anal...				Eur J Med Chem 67: 325-34 (2013) Article DOI: 10.1016/j.ejmech.2013.06.051 BindingDB Entry DOI: 10.7270/Q2QR4ZJ0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82109 (6,8,10-Traiazaspiro[4.5]deca-6,8-diene-7,9-diamine...) Show SMILES NC1=NC2(CCCC2)N(OCCCOc2ccccc2)C(N)=N1 |c:23,t:1| Show InChI InChI=1S/C16H23N5O2/c17-14-19-15(18)21(16(20-14)9-4-5-10-16)23-12-6-11-22-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82109 (6,8,10-Traiazaspiro[4.5]deca-6,8-diene-7,9-diamine...) Show SMILES NC1=NC2(CCCC2)N(OCCCOc2ccccc2)C(N)=N1 |c:23,t:1| Show InChI InChI=1S/C16H23N5O2/c17-14-19-15(18)21(16(20-14)9-4-5-10-16)23-12-6-11-22-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore					Assay Description Inhibition activity using bovine dihydrofolate reductase (DHFR).				Chem Biol Drug Des 74: 322-6 (2009) Article DOI: 10.1111/j.1747-0285.2009.00860.x BindingDB Entry DOI: 10.7270/Q24F1P74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236320 (CHEMBL4091106) Show SMILES Cl.NC1=NC2(CCCC2)N(OCCCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:35,t:1| Show InChI InChI=1S/C26H31N5O3/c27-24-29-25(28)31(26(30-24)15-4-5-16-26)34-18-7-6-17-33-22-12-8-11-21(19-22)23(32)14-13-20-9-2-1-3-10-20/h1-3,8-14,19H,4-7,15-18H2,(H4,27,28,29,30)/b14-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236287 (CHEMBL4071967) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-8-17(16-19)12-13-20(29)18-9-4-3-5-10-18/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236288 (CHEMBL4098945) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C24H29N5O3/c1-24(2)28-22(25)27-23(26)29(24)32-17-7-6-16-31-20-13-11-19(12-14-20)21(30)15-10-18-8-4-3-5-9-18/h3-5,8-15H,6-7,16-17H2,1-2H3,(H4,25,26,27,28)/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore					Assay Description Inhibition activity using bovine dihydrofolate reductase (DHFR).				Chem Biol Drug Des 74: 322-6 (2009) Article DOI: 10.1111/j.1747-0285.2009.00860.x BindingDB Entry DOI: 10.7270/Q24F1P74
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50211072 (CHEMBL3974488) Show SMILES Br.CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC22CCOCC2)cc1 |c:15,18| Show InChI InChI=1S/C20H31N5O3/c1-19(2,3)15-5-7-16(8-6-15)27-11-4-12-28-25-18(22)23-17(21)24-20(25)9-13-26-14-10-20/h5-8H,4,9-14H2,1-3H3,(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 Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric me...				Eur J Med Chem 125: 1279-1288 (2017) Article DOI: 10.1016/j.ejmech.2016.11.010 BindingDB Entry DOI: 10.7270/Q2X92DG3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236325 (CHEMBL4099755) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(c1)C(=O)CCc1ccccc1 |t:3,6| Show InChI InChI=1S/C23H29N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-10-18(16-19)20(29)13-12-17-8-4-3-5-9-17/h3-6,8-11,16H,7,12-15H2,1-2H3,(H4,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236291 (CHEMBL4060570) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1ccc(\C=C\C(=O)c2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C24H29N5O3/c1-24(2)28-22(25)27-23(26)29(24)32-17-7-6-16-31-20-13-10-18(11-14-20)12-15-21(30)19-8-4-3-5-9-19/h3-5,8-15H,6-7,16-17H2,1-2H3,(H4,25,26,27,28)/b15-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50211070 (CHEMBL3943671) Show SMILES Cl.NC1=NC2(CCSCC2)N(OCCCOc2ccc(Cl)cc2Cl)C(N)=N1 |c:26,t:1| Show InChI InChI=1S/C16H21Cl2N5O2S/c17-11-2-3-13(12(18)10-11)24-6-1-7-25-23-15(20)21-14(19)22-16(23)4-8-26-9-5-16/h2-3,10H,1,4-9H2,(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	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric me...				Eur J Med Chem 125: 1279-1288 (2017) Article DOI: 10.1016/j.ejmech.2016.11.010 BindingDB Entry DOI: 10.7270/Q2X92DG3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236289 (CHEMBL4082453) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C24H29N5O3/c1-24(2)28-22(25)27-23(26)29(24)32-16-7-6-15-31-20-12-8-11-19(17-20)21(30)14-13-18-9-4-3-5-10-18/h3-5,8-14,17H,6-7,15-16H2,1-2H3,(H4,25,26,27,28)/b14-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236319 (CHEMBL4101407) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C24H29N5O3/c1-24(2)28-22(25)27-23(26)29(24)32-16-7-6-15-31-20-12-8-9-18(17-20)13-14-21(30)19-10-4-3-5-11-19/h3-5,8-14,17H,6-7,15-16H2,1-2H3,(H4,25,26,27,28)/b14-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236324 (CHEMBL4080801) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccccc1 |t:3,6| Show InChI InChI=1S/C14H21N5O2/c1-14(2)18-12(15)17-13(16)19(14)21-10-6-9-20-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(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	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348449 (CHEMBL1801203) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccc(cc2)S(N)(=O)=O)C(N)=N1 |c:28,t:1| Show InChI InChI=1S/C17H26N6O4S/c18-15-21-16(19)23(17(22-15)9-2-1-3-10-17)27-12-4-11-26-13-5-7-14(8-6-13)28(20,24)25/h5-8H,1-4,9-12H2,(H2,20,24,25)(H4,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236323 (CHEMBL4070144) Show SMILES Cl.NC1=NC2(CCCC2)N(OCCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:34,t:1| Show InChI InChI=1S/C25H29N5O3/c26-23-28-24(27)30(25(29-23)14-4-5-15-25)33-17-7-16-32-21-11-6-10-20(18-21)22(31)13-12-19-8-2-1-3-9-19/h1-3,6,8-13,18H,4-5,7,14-17H2,(H4,26,27,28,29)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348446 (CHEMBL1801200) Show SMILES COc1ccc(OCCCON2C(N)=NC(N)=NC22CCCCC2)cc1 |c:13,16| Show InChI InChI=1S/C18H27N5O3/c1-24-14-6-8-15(9-7-14)25-12-5-13-26-23-17(20)21-16(19)22-18(23)10-3-2-4-11-18/h6-9H,2-5,10-13H2,1H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236286 (CHEMBL4079985) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(\C=C\C(=O)c2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-16-6-15-30-19-12-9-17(10-13-19)11-14-20(29)18-7-4-3-5-8-18/h3-5,7-14H,6,15-16H2,1-2H3,(H4,24,25,26,27)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50211069 (CHEMBL3952384) Show SMILES Cl.NC1=NC2(CCSCC2)N(OCCCOc2ccc(Br)cc2)C(N)=N1 |c:25,t:1| Show InChI InChI=1S/C16H22BrN5O2S/c17-12-2-4-13(5-3-12)23-8-1-9-24-22-15(19)20-14(18)21-16(22)6-10-25-11-7-16/h2-5H,1,6-11H2,(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	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric me...				Eur J Med Chem 125: 1279-1288 (2017) Article DOI: 10.1016/j.ejmech.2016.11.010 BindingDB Entry DOI: 10.7270/Q2X92DG3
					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 Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric me...				Eur J Med Chem 125: 1279-1288 (2017) Article DOI: 10.1016/j.ejmech.2016.11.010 BindingDB Entry DOI: 10.7270/Q2X92DG3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50134784 (CHEMBL526243 | TCMDC-137820) Show SMILES Nc1nc(N)c2c3ccn(Cc4ccc(cc4)C#N)c3ccc2n1 Show InChI InChI=1S/C18H14N6/c19-9-11-1-3-12(4-2-11)10-24-8-7-13-15(24)6-5-14-16(13)17(20)23-18(21)22-14/h1-8H,10H2,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate by fluorescence method				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82116 (1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine...) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccccc2)C(N)=N1 |c:24,t:1| Show InChI InChI=1S/C17H25N5O2/c18-15-20-16(19)22(17(21-15)10-5-2-6-11-17)24-13-7-12-23-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore					Assay Description Inhibition activity using bovine dihydrofolate reductase (DHFR).				Chem Biol Drug Des 74: 322-6 (2009) Article DOI: 10.1111/j.1747-0285.2009.00860.x BindingDB Entry DOI: 10.7270/Q24F1P74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82116 (1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine...) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccccc2)C(N)=N1 |c:24,t:1| Show InChI InChI=1S/C17H25N5O2/c18-15-20-16(19)22(17(21-15)10-5-2-6-11-17)24-13-7-12-23-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O 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 DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using DHF as substrate measured every 30 secs over 6 mins by spect...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348433 (CHEMBL1800939) Show SMILES NC1=NC2(CCCC2)N(OCCCOc2ccc(Cl)cc2)C(N)=N1 |c:24,t:1| Show InChI InChI=1S/C16H22ClN5O2/c17-12-4-6-13(7-5-12)23-10-3-11-24-22-15(19)20-14(18)21-16(22)8-1-2-9-16/h4-7H,1-3,8-11H2,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50211066 (CHEMBL3931887) Show SMILES Br.NC1=NC2(CCOCC2)N(OCCCOc2ccc(Cl)cc2Cl)C(N)=N1 |c:26,t:1| Show InChI InChI=1S/C16H21Cl2N5O3/c17-11-2-3-13(12(18)10-11)25-6-1-7-26-23-15(20)21-14(19)22-16(23)4-8-24-9-5-16/h2-3,10H,1,4-9H2,(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	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric me...				Eur J Med Chem 125: 1279-1288 (2017) Article DOI: 10.1016/j.ejmech.2016.11.010 BindingDB Entry DOI: 10.7270/Q2X92DG3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348438 (CHEMBL1800944) Show SMILES NC1=NC2(CCCC2)N(OCCCOc2ccc(cc2)C#N)C(N)=N1 |c:25,t:1| Show InChI InChI=1S/C17H22N6O2/c18-12-13-4-6-14(7-5-13)24-10-3-11-25-23-16(20)21-15(19)22-17(23)8-1-2-9-17/h4-7H,1-3,8-11H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50290152 (CHEMBL526013) Show SMILES Cc1c(Cc2ccccc2Br)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H14BrN5/c1-8-10(6-9-4-2-3-5-11(9)16)7-19-14-12(8)13(17)20-15(18)21-14/h2-5,7H,6H2,1H3,(H4,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate by fluorescence method				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					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 Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydrofolate reductase using dihydrofolate as substrate measured every 30 secs over 6 mins by UV/visible spectrophot...				Eur J Med Chem 115: 63-74 (2016) Article DOI: 10.1016/j.ejmech.2016.03.002 BindingDB Entry DOI: 10.7270/Q20R9R9R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O 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 DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50211067 (CHEMBL3965885) Show SMILES Br.NC1=NC2(CCOCC2)N(OCCCOc2ccc(Cl)c(Cl)c2)C(N)=N1 |c:26,t:1| Show InChI InChI=1S/C16H21Cl2N5O3/c17-12-3-2-11(10-13(12)18)25-6-1-7-26-23-15(20)21-14(19)22-16(23)4-8-24-9-5-16/h2-3,10H,1,4-9H2,(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	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric me...				Eur J Med Chem 125: 1279-1288 (2017) Article DOI: 10.1016/j.ejmech.2016.11.010 BindingDB Entry DOI: 10.7270/Q2X92DG3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM50290152 (CHEMBL526013) Show SMILES Cc1c(Cc2ccccc2Br)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H14BrN5/c1-8-10(6-9-4-2-3-5-11(9)16)7-19-14-12(8)13(17)20-15(18)21-14/h2-5,7H,6H2,1H3,(H4,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli assessed as reduction in consumption of NADPH using DHF as substrat...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348434 (CHEMBL1800940) Show SMILES NC1=NC2(CCCC2)N(OCCCOc2ccc(cc2)[N+]([O-])=O)C(N)=N1 |c:26,t:1| Show InChI InChI=1S/C16H22N6O4/c17-14-19-15(18)21(16(20-14)8-1-2-9-16)26-11-3-10-25-13-6-4-12(5-7-13)22(23)24/h4-7H,1-3,8-11H2,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236285 (CHEMBL4098009) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-10-18(16-19)20(29)13-12-17-8-4-3-5-9-17/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236284 (CHEMBL4069255) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-16-6-15-30-19-12-10-18(11-13-19)20(29)14-9-17-7-4-3-5-8-17/h3-5,7-14H,6,15-16H2,1-2H3,(H4,24,25,26,27)/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348439 (CHEMBL1800945) Show SMILES CC(=O)c1ccc(OCCCON2C(N)=NC(N)=NC22CCCC2)cc1 |c:14,17| Show InChI InChI=1S/C18H25N5O3/c1-13(24)14-5-7-15(8-6-14)25-11-4-12-26-23-17(20)21-16(19)22-18(23)9-2-3-10-18/h5-8H,2-4,9-12H2,1H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82114 (1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine...) Show SMILES NC1=NC2(CCCCC2)N(OCCc2ccccc2)C(N)=N1 |c:22,t:1| Show InChI InChI=1S/C16H23N5O/c17-14-19-15(18)21(16(20-14)10-5-2-6-11-16)22-12-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore					Assay Description Inhibition activity using bovine dihydrofolate reductase (DHFR).				Chem Biol Drug Des 74: 322-6 (2009) Article DOI: 10.1111/j.1747-0285.2009.00860.x BindingDB Entry DOI: 10.7270/Q24F1P74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348435 (CHEMBL1800941) Show SMILES Cc1ccc(OCCCON2C(N)=NC(N)=NC22CCCC2)cc1 |c:12,15| Show InChI InChI=1S/C17H25N5O2/c1-13-5-7-14(8-6-13)23-11-4-12-24-22-16(19)20-15(18)21-17(22)9-2-3-10-17/h5-8H,2-4,9-12H2,1H3,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348447 (CHEMBL1801201) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccc(cc2)C#N)C(N)=N1 |c:26,t:1| Show InChI InChI=1S/C18H24N6O2/c19-13-14-5-7-15(8-6-14)25-11-4-12-26-24-17(21)22-16(20)23-18(24)9-2-1-3-10-18/h5-8H,1-4,9-12H2,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM50134784 (CHEMBL526243 | TCMDC-137820) Show SMILES Nc1nc(N)c2c3ccn(Cc4ccc(cc4)C#N)c3ccc2n1 Show InChI InChI=1S/C18H14N6/c19-9-11-1-3-12(4-2-11)10-24-8-7-13-15(24)6-5-14-16(13)17(20)23-18(21)22-14/h1-8H,10H2,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli assessed as reduction in consumption of NADPH using DHF as substrat...				Eur J Med Chem 144: 262-276 (2018) Article DOI: 10.1016/j.ejmech.2017.12.017 BindingDB Entry DOI: 10.7270/Q2VT1VNW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348451 (CHEMBL1800938) Show SMILES NC1=NC2(CCCC2)N(OCCCOc2ccc(F)cc2)C(N)=N1 |c:24,t:1| Show InChI InChI=1S/C16H22FN5O2/c17-12-4-6-13(7-5-12)23-10-3-11-24-22-15(19)20-14(18)21-16(22)8-1-2-9-16/h4-7H,1-3,8-11H2,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50211073 (CHEMBL3912587) Show SMILES Br.COc1ccc(OCCCON2C(N)=NC(N)=NC22CCOCC2)cc1 |c:13,16| Show InChI InChI=1S/C17H25N5O4/c1-23-13-3-5-14(6-4-13)25-9-2-10-26-22-16(19)20-15(18)21-17(22)7-11-24-12-8-17/h3-6H,2,7-12H2,1H3,(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	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric me...				Eur J Med Chem 125: 1279-1288 (2017) Article DOI: 10.1016/j.ejmech.2016.11.010 BindingDB Entry DOI: 10.7270/Q2X92DG3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348437 (CHEMBL1800943) Show SMILES COc1ccc(OCCCON2C(N)=NC(N)=NC22CCCC2)cc1 |c:13,16| Show InChI InChI=1S/C17H25N5O3/c1-23-13-5-7-14(8-6-13)24-11-4-12-25-22-16(19)20-15(18)21-17(22)9-2-3-10-17/h5-8H,2-4,9-12H2,1H3,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50236290 (CHEMBL4083419) Show SMILES Cl.NC1=NC2(CCCC2)N(OCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:33,t:1| Show InChI InChI=1S/C24H27N5O3/c25-22-27-23(26)29(24(28-22)13-4-5-14-24)32-16-15-31-20-10-6-9-19(17-20)21(30)12-11-18-7-2-1-3-8-18/h1-3,6-12,17H,4-5,13-16H2,(H4,25,26,27,28)/b12-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348448 (CHEMBL1801202) Show SMILES CC(=O)c1ccc(OCCCON2C(N)=NC(N)=NC22CCCCC2)cc1 |c:14,17| Show InChI InChI=1S/C19H27N5O3/c1-14(25)15-6-8-16(9-7-15)26-12-5-13-27-24-18(21)22-17(20)23-19(24)10-3-2-4-11-19/h6-9H,2-5,10-13H2,1H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348442 (CHEMBL1800948) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccc(Cl)cc2)C(N)=N1 |c:25,t:1| Show InChI InChI=1S/C17H24ClN5O2/c18-13-5-7-14(8-6-13)24-11-4-12-25-23-16(20)21-15(19)22-17(23)9-2-1-3-10-17/h5-8H,1-4,9-12H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair

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