Compile Data Set for Download or QSAR

Found 355 hits of ic50 for UniProtKB: P00376   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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 PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration against beef liver dihydrofolate reductase				J Med Chem 28: 914-21 (1985) BindingDB Entry DOI: 10.7270/Q2CN74HM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (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 PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its ability to inhibit the Dihydrofolate reductase extracted from beef liver.				J Med Chem 27: 605-9 (1984) BindingDB Entry DOI: 10.7270/Q29G5KSG
					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 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 (Bos taurus (Cattle))	BDBM50448052 (CHEMBL3115740) Show SMILES COc1ccc(C=C2CCCC3C2=Nc2cc(C)c(C)cc2N=C3c2ccc(OC)c(OC)c2)cc1OC |w:6.5,c:24,t:13| Show InChI InChI=1S/C32H34N2O4/c1-19-14-25-26(15-20(19)2)34-32(23-11-13-28(36-4)30(18-23)38-6)24-9-7-8-22(31(24)33-25)16-21-10-12-27(35-3)29(17-21)37-5/h10-18,24H,7-9H2,1-6H3	PDB UniProtKB/SwissProt 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
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50028130 ((gamma-n-Bu)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl...) Show SMILES CCCCOC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O Show InChI InChI=1S/C24H30N8O5/c1-3-4-11-37-18(33)10-9-17(23(35)36)29-22(34)14-5-7-16(8-6-14)32(2)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,29,34)(H,35,36)(H4,25,26,27,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its ability to inhibit the Dihydrofolate reductase extracted from beef liver.				J Med Chem 27: 605-9 (1984) BindingDB Entry DOI: 10.7270/Q29G5KSG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50028131 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CCCCCCCCOC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O Show InChI InChI=1S/C28H38N8O5/c1-3-4-5-6-7-8-15-41-22(37)14-13-21(27(39)40)33-26(38)18-9-11-20(12-10-18)36(2)17-19-16-31-25-23(32-19)24(29)34-28(30)35-25/h9-12,16,21H,3-8,13-15,17H2,1-2H3,(H,33,38)(H,39,40)(H4,29,30,31,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its ability to inhibit the Dihydrofolate reductase extracted from beef liver.				J Med Chem 27: 605-9 (1984) BindingDB Entry DOI: 10.7270/Q29G5KSG
					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 (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 (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 (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))	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 (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 (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	8	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR				Bioorg Med Chem Lett 24: 4557-67 (2014) Article DOI: 10.1016/j.bmcl.2014.07.070 BindingDB Entry DOI: 10.7270/Q2CZ38TW
					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	8	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (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 (Bos taurus (Cattle))	BDBM226165 (N'-[4-Methoxybenzylidene-2-(6-chloro)-3-(4-met...) Show SMILES COc1ccc(\C=N\NC(=O)CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C25H21ClN4O4S/c1-33-19-8-3-16(4-9-19)14-27-29-23(31)15-35-25-28-22-12-5-17(26)13-21(22)24(32)30(25)18-6-10-20(34-2)11-7-18/h3-14H,15H2,1-2H3,(H,29,31)/b27-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
Future University					Assay Description The assay mixture contained 50 μM Tris-HCl buffer (pH 7.4), 50 μM NADPH, 10 μl DMSO or the same volume of DMSO solution containing the...				Bioorg Chem 72: 282-292 (2017) BindingDB Entry DOI: 10.7270/Q2TX3D82
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50196309 (CHEMBL3929338) Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2Cc2ccccc2)cc1 Show InChI InChI=1S/C24H22N2O2S/c1-17-8-13-22-21(14-17)23(27)26(15-18-6-4-3-5-7-18)24(25-22)29-16-19-9-11-20(28-2)12-10-19/h3-14H,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					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 (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 (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
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50348443 (CHEMBL1801197) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccc(cc2)[N+]([O-])=O)C(N)=N1 |c:27,t:1| Show InChI InChI=1S/C17H24N6O4/c18-15-20-16(19)22(17(21-15)9-2-1-3-10-17)27-12-4-11-26-14-7-5-13(6-8-14)23(24)25/h5-8H,1-4,9-12H2,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.7	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))	BDBM82110 (6,8,10-Traiazaspiro[4.5]deca-6,8-diene-7,9-diamine...) Show SMILES CN(CCCON1C(N)=NC(N)=NC11CCCC1)c1ccccc1 |c:8,11| Show InChI InChI=1S/C17H26N6O/c1-22(14-8-3-2-4-9-14)12-7-13-24-23-16(19)20-15(18)21-17(23)10-5-6-11-17/h2-4,8-9H,5-7,10-13H2,1H3,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.9	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))	BDBM50348441 (CHEMBL1800947) Show SMILES NC1=NC2(CCCCC2)N(OCCCOc2ccc(F)cc2)C(N)=N1 |c:25,t:1| Show InChI InChI=1S/C17H24FN5O2/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	15.4	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))	BDBM50348436 (CHEMBL1800942) Show SMILES CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC22CCCC2)cc1 |c:15,18| Show InChI InChI=1S/C20H31N5O2/c1-19(2,3)15-7-9-16(10-8-15)26-13-6-14-27-25-18(22)23-17(21)24-20(25)11-4-5-12-20/h7-10H,4-6,11-14H2,1-3H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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))	BDBM50348444 (CHEMBL1801198) Show SMILES Cc1ccc(OCCCON2C(N)=NC(N)=NC22CCCCC2)cc1 |c:12,15| Show InChI InChI=1S/C18H27N5O2/c1-14-6-8-15(9-7-14)24-12-5-13-25-23-17(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	17.5	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))	BDBM50196287 (CHEMBL3936506) Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)cc1 Show InChI InChI=1S/C22H17ClN2O2S/c1-27-18-10-7-15(8-11-18)14-28-22-24-20-12-9-16(23)13-19(20)21(26)25(22)17-5-3-2-4-6-17/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82108 (6,8,10-Traiazaspiro[4.5]deca-6,8-diene-7,9-diamine...) Show SMILES NC1=NC2(CCCC2)N(OCCCc2ccccc2)C(N)=N1 |c:22,t:1| Show InChI InChI=1S/C16H23N5O/c17-14-19-15(18)21(16(20-14)10-4-5-11-16)22-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.1	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))	BDBM50348445 (CHEMBL1801199) Show SMILES CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC22CCCCC2)cc1 |c:15,18| Show InChI InChI=1S/C21H33N5O2/c1-20(2,3)16-8-10-17(11-9-16)27-14-7-15-28-26-19(23)24-18(22)25-21(26)12-5-4-6-13-21/h8-11H,4-7,12-15H2,1-3H3,(H4,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.5	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))	BDBM50268404 (CHEMBL4085881) Show SMILES [O-][N+](=O)c1cccc(\C=N\c2ccc(cc2)-c2nnc(S)n2\N=C\c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C22H15N7O4S/c30-28(31)19-5-1-3-15(11-19)13-23-18-9-7-17(8-10-18)21-25-26-22(34)27(21)24-14-16-4-2-6-20(12-16)29(32)33/h1-14H,(H,26,34)/b23-13+,24-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Advanced Organic Chemistry Department, P.D. Patel Institute of Applied Sciences, CHARUSAT, Changa 388421, Gujarat, India. Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPH				Bioorg Med Chem 25: 4064-4075 (2017) Article DOI: 10.1016/j.bmc.2017.05.054 BindingDB Entry DOI: 10.7270/Q2QJ7KSN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Advanced Organic Chemistry Department, P. D. Patel Institute of Applied Sciences, CHARUSAT, Changa 388421, Gujarat, India. Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR				Bioorg Med Chem 25: 5396-5406 (2017) Article DOI: 10.1016/j.bmc.2017.07.057 BindingDB Entry DOI: 10.7270/Q2JW8HCQ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Advanced Organic Chemistry Department, P.D. Patel Institute of Applied Sciences, CHARUSAT, Changa 388421, Gujarat, India. Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPH				Bioorg Med Chem 25: 4064-4075 (2017) Article DOI: 10.1016/j.bmc.2017.05.054 BindingDB Entry DOI: 10.7270/Q2QJ7KSN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438444 (CHEMBL2414370) Show SMILES COc1ccc(c(OC)c1)-n1c(n[nH]c1=S)-c1csc(NC(=S)Nc2ccccc2)n1 |(37.8,-11.38,;39.13,-12.15,;40.47,-11.38,;41.8,-12.15,;43.14,-11.38,;43.13,-9.83,;41.8,-9.07,;41.79,-7.53,;40.46,-6.76,;40.47,-9.84,;44.46,-9.06,;45.92,-9.55,;46.84,-8.31,;45.94,-7.06,;44.47,-7.53,;43.23,-6.61,;46.37,-11.02,;45.45,-12.25,;46.34,-13.51,;47.81,-13.05,;49.14,-13.82,;50.48,-13.05,;50.48,-11.52,;51.81,-13.83,;53.14,-13.06,;54.47,-13.84,;55.81,-13.08,;55.81,-11.54,;54.47,-10.76,;53.14,-11.53,;47.82,-11.51,)| Show InChI InChI=1S/C20H18N6O2S3/c1-27-13-8-9-15(16(10-13)28-2)26-17(24-25-20(26)30)14-11-31-19(22-14)23-18(29)21-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,30)(H2,21,22,23,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82107 (6,8,10-Traiazaspiro[4.5]deca-6,8-diene-7,9-diamine...) Show SMILES NC1=NC2(CCCC2)N(OCCc2ccccc2)C(N)=N1 |c:21,t:1| Show InChI InChI=1S/C15H21N5O/c16-13-18-14(17)20(15(19-13)9-4-5-10-15)21-11-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H4,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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))	BDBM50260742 (CHEMBL4076589) Show SMILES [O-][N+](=O)c1cccc(\C=N\c2nc3ccccc3s2)c1 Show InChI InChI=1S/C14H9N3O2S/c18-17(19)11-5-3-4-10(8-11)9-15-14-16-12-6-1-2-7-13(12)20-14/h1-9H/b15-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Advanced Organic Chemistry Department, P. D. Patel Institute of Applied Sciences, CHARUSAT, Changa 388421, Gujarat, India. Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR				Bioorg Med Chem 25: 5396-5406 (2017) Article DOI: 10.1016/j.bmc.2017.07.057 BindingDB Entry DOI: 10.7270/Q2JW8HCQ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31.3	n/a	n/a	n/a	n/a	n/a	n/a
Affiliated to Sardar Patel University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition in presence of NADPH				Eur J Med Chem 129: 251-265 (2017) Article DOI: 10.1016/j.ejmech.2017.02.012 BindingDB Entry DOI: 10.7270/Q2TX3HN7
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31.3	n/a	n/a	n/a	n/a	n/a	n/a
Sardar Patel University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition				Bioorg Med Chem 25: 6635-6646 (2017) Article DOI: 10.1016/j.bmc.2017.10.041 BindingDB Entry DOI: 10.7270/Q20V8GC0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31.3	n/a	n/a	n/a	n/a	n/a	n/a
Affiliated to Sardar Patel University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using FH2 as substrate incubated for 2 mins followed by substrate addition				Bioorg Med Chem 27: 3574-3586 (2019) Article DOI: 10.1016/j.bmc.2019.06.038 BindingDB Entry DOI: 10.7270/Q26T0R0V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82115 (1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine...) Show SMILES NC1=NC2(CCCCC2)N(OCCCc2ccccc2)C(N)=N1 |c:23,t:1| Show InChI InChI=1S/C17H25N5O/c18-15-20-16(19)22(17(21-15)11-5-2-6-12-17)23-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H4,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.9	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))	BDBM50028137 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CCCCCCCCCCCCOC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O Show InChI InChI=1S/C32H46N8O5/c1-3-4-5-6-7-8-9-10-11-12-19-45-26(41)18-17-25(31(43)44)37-30(42)22-13-15-24(16-14-22)40(2)21-23-20-35-29-27(36-23)28(33)38-32(34)39-29/h13-16,20,25H,3-12,17-19,21H2,1-2H3,(H,37,42)(H,43,44)(H4,33,34,35,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its ability to inhibit the Dihydrofolate reductase extracted from beef liver.				J Med Chem 27: 605-9 (1984) BindingDB Entry DOI: 10.7270/Q29G5KSG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50268405 (CHEMBL4068075) Show SMILES Sc1nnc(-c2ccc(cc2)\N=C\c2ccc(Cl)cc2)n1\N=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C22H15Cl2N5S/c23-18-7-1-15(2-8-18)13-25-20-11-5-17(6-12-20)21-27-28-22(30)29(21)26-14-16-3-9-19(24)10-4-16/h1-14H,(H,28,30)/b25-13+,26-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Advanced Organic Chemistry Department, P.D. Patel Institute of Applied Sciences, CHARUSAT, Changa 388421, Gujarat, India. Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPH				Bioorg Med Chem 25: 4064-4075 (2017) Article DOI: 10.1016/j.bmc.2017.05.054 BindingDB Entry DOI: 10.7270/Q2QJ7KSN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50028135 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CCCCCCCCCCCCCCCCOC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O Show InChI InChI=1S/C36H54N8O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-49-30(45)22-21-29(35(47)48)41-34(46)26-17-19-28(20-18-26)44(2)25-27-24-39-33-31(40-27)32(37)42-36(38)43-33/h17-20,24,29H,3-16,21-23,25H2,1-2H3,(H,41,46)(H,47,48)(H4,37,38,39,42,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its ability to inhibit the Dihydrofolate reductase extracted from beef liver.				J Med Chem 27: 605-9 (1984) BindingDB Entry DOI: 10.7270/Q29G5KSG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM82117 (1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine...) Show SMILES CN(CCCON1C(N)=NC(N)=NC11CCCCC1)c1ccccc1 |c:8,11| Show InChI InChI=1S/C18H28N6O/c1-23(15-9-4-2-5-10-15)13-8-14-25-24-17(20)21-16(19)22-18(24)11-6-3-7-12-18/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41.4	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

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