Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'ewida' and Initial = 'ma'   

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 (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))	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	n/a	n/a	80	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				3D Structure (crystal)
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM226173 (6-Chloro-2-((5-(4-chlorophenylamino)-1,3,4-thiadia...) Show SMILES COc1ccc(cc1)-n1c(SCc2nnc(Nc3ccc(Cl)cc3)s2)nc2ccc(Cl)cc2c1=O Show InChI InChI=1S/C24H17Cl2N5O2S2/c1-33-18-9-7-17(8-10-18)31-22(32)19-12-15(26)4-11-20(19)28-24(31)34-13-21-29-30-23(35-21)27-16-5-2-14(25)3-6-16/h2-12H,13H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	400	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))	BDBM226170 (1-[2-(6,7-Dimethoxy)-3-(4-methoxy-phenyl)-4-oxo-3,...) Show SMILES COc1ccc(cc1)C(=S)NNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C27H26N4O6S2/c1-34-18-9-5-16(6-10-18)25(38)30-29-24(32)15-39-27-28-21-14-23(37-4)22(36-3)13-20(21)26(33)31(27)17-7-11-19(35-2)12-8-17/h5-14H,15H2,1-4H3,(H,29,32)(H,30,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	600	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))	BDBM226163 (2-[(6,7-Dimethoxy)-3-(4-methoxyphenyl)-4-oxo-3,4-d...) Show SMILES COc1ccc(cc1)-n1c(SCC(=O)NN)nc2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C19H20N4O5S/c1-26-12-6-4-11(5-7-12)23-18(25)13-8-15(27-2)16(28-3)9-14(13)21-19(23)29-10-17(24)22-20/h4-9H,10,20H2,1-3H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	800	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))	BDBM226168 (1-[2-(6-Chloro)-3-(4-methoxy-phenyl)-4-oxo-3,4-dih...) Show SMILES COc1ccc(cc1)-n1c(SCC(=O)NNC(=S)c2ccc(Cl)cc2)nc2ccc(Cl)cc2c1=O Show InChI InChI=1S/C24H18Cl2N4O3S2/c1-33-18-9-7-17(8-10-18)30-23(32)19-12-16(26)6-11-20(19)27-24(30)35-13-21(31)28-29-22(34)14-2-4-15(25)5-3-14/h2-12H,13H2,1H3,(H,28,31)(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20E+3	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))	BDBM226160 (Ethyl 2-(6-chloro-3-(4-methoxyphenyl)-4-oxo-3,4-di...) Show SMILES CCOC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C19H17ClN2O4S/c1-3-26-17(23)11-27-19-21-16-9-4-12(20)10-15(16)18(24)22(19)13-5-7-14(25-2)8-6-13/h4-10H,3,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.70E+3	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))	BDBM226174 (6-chloro-2-((5-(4-methoxyphenylamino)-1,3,4-thiadi...) Show SMILES COc1ccc(Nc2nnc(CSc3nc4ccc(Cl)cc4c(=O)n3-c3ccc(OC)cc3)s2)cc1 Show InChI InChI=1S/C25H20ClN5O3S2/c1-33-18-8-4-16(5-9-18)27-24-30-29-22(36-24)14-35-25-28-21-12-3-15(26)13-20(21)23(32)31(25)17-6-10-19(34-2)11-7-17/h3-13H,14H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.40E+3	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))	BDBM226162 (2-[6-Chloro-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroq...) Show SMILES COc1ccc(cc1)-n1c(SCC(=O)NN)nc2ccc(Cl)cc2c1=O Show InChI InChI=1S/C17H15ClN4O3S/c1-25-12-5-3-11(4-6-12)22-16(24)13-8-10(18)2-7-14(13)20-17(22)26-9-15(23)21-19/h2-8H,9,19H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.50E+3	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))	BDBM226166 (N'-[4-Chlorobenzylidene-2-(6,7-dimethoxy)-3-(4...) Show SMILES COc1ccc(cc1)-n1c(SCC(=O)N\N=C\c2ccc(Cl)cc2)nc2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C26H23ClN4O5S/c1-34-19-10-8-18(9-11-19)31-25(33)20-12-22(35-2)23(36-3)13-21(20)29-26(31)37-15-24(32)30-28-14-16-4-6-17(27)7-5-16/h4-14H,15H2,1-3H3,(H,30,32)/b28-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.60E+3	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))	BDBM226167 (N'-[4-Methoxybenzylidene-2-(6,7-dimethoxy)-3-(...) Show SMILES COc1ccc(\C=N\NC(=O)CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C27H26N4O6S/c1-34-19-9-5-17(6-10-19)15-28-30-25(32)16-38-27-29-22-14-24(37-4)23(36-3)13-21(22)26(33)31(27)18-7-11-20(35-2)12-8-18/h5-15H,16H2,1-4H3,(H,30,32)/b28-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.00E+3	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))	BDBM226172 ((6,7-Dimethoxy)-2-((4-(4-methoxyphenyl)-5-mercapto...) Show SMILES COc1ccc(cc1)-n1c(S)nnc1CSc1nc2cc(OC)c(OC)cc2c(=O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C27H25N5O5S2/c1-34-18-9-5-16(6-10-18)31-24(29-30-26(31)38)15-39-27-28-21-14-23(37-4)22(36-3)13-20(21)25(33)32(27)17-7-11-19(35-2)12-8-17/h5-14H,15H2,1-4H3,(H,30,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.08E+4	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))	BDBM226171 ((6,7-Dimethoxy)-2-((4-(4-chlorophenyl)-5-mercapto-...) Show SMILES COc1ccc(cc1)-n1c(SCc2nnc(S)n2-c2ccc(Cl)cc2)nc2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C26H22ClN5O4S2/c1-34-18-10-8-17(9-11-18)32-24(33)19-12-21(35-2)22(36-3)13-20(19)28-26(32)38-14-23-29-30-25(37)31(23)16-6-4-15(27)5-7-16/h4-13H,14H2,1-3H3,(H,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10E+4	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))	BDBM226158 (6-Chloro-2-mercapto-3-(4-methoxyphenyl)quinazolin-...) Show SMILES COc1ccc(cc1)-n1c(=S)[nH]c2ccc(Cl)cc2c1=O Show InChI InChI=1S/C15H11ClN2O2S/c1-20-11-5-3-10(4-6-11)18-14(19)12-8-9(16)2-7-13(12)17-15(18)21/h2-8H,1H3,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.15E+4	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))	BDBM226176 (6,7-Dimethoxy-2-((5-(4-methoxyphenylamino)-1,3,4-t...) Show SMILES COc1ccc(Nc2nnc(CSc3nc4cc(OC)c(OC)cc4c(=O)n3-c3ccc(OC)cc3)s2)cc1 Show InChI InChI=1S/C27H25N5O5S2/c1-34-18-9-5-16(6-10-18)28-26-31-30-24(39-26)15-38-27-29-21-14-23(37-4)22(36-3)13-20(21)25(33)32(27)17-7-11-19(35-2)12-8-17/h5-14H,15H2,1-4H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.18E+4	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))	BDBM226161 (Ethyl 2-(6,7-dimethoxy-3-(4-methoxyphenyl)-4-oxo-3...) Show SMILES CCOC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C21H22N2O6S/c1-5-29-19(24)12-30-21-22-16-11-18(28-4)17(27-3)10-15(16)20(25)23(21)13-6-8-14(26-2)9-7-13/h6-11H,5,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.44E+4	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))	BDBM226175 (6,7-Dimethoxy-2-((5-(4-chlorophenylamino)-1,3,4-th...) Show SMILES COc1ccc(cc1)-n1c(SCc2nnc(Nc3ccc(Cl)cc3)s2)nc2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C26H22ClN5O4S2/c1-34-18-10-8-17(9-11-18)32-24(33)19-12-21(35-2)22(36-3)13-20(19)29-26(32)37-14-23-30-31-25(38-23)28-16-6-4-15(27)5-7-16/h4-13H,14H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.47E+4	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))	BDBM226164 (N'-[4-Chlorobenzylidene-2-(6-chloro)-3-(4-meth...) Show SMILES COc1ccc(cc1)-n1c(SCC(=O)N\N=C\c2ccc(Cl)cc2)nc2ccc(Cl)cc2c1=O Show InChI InChI=1S/C24H18Cl2N4O3S/c1-33-19-9-7-18(8-10-19)30-23(32)20-12-17(26)6-11-21(20)28-24(30)34-14-22(31)29-27-13-15-2-4-16(25)5-3-15/h2-13H,14H2,1H3,(H,29,31)/b27-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.90E+4	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))	BDBM226159 ((6,7-Dimethoxy)-2-mercapto-3-(4-methoxyphenyl)quin...) Show SMILES COc1ccc(cc1)-n1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C17H16N2O4S/c1-21-11-6-4-10(5-7-11)19-16(20)12-8-14(22-2)15(23-3)9-13(12)18-17(19)24/h4-9H,1-3H3,(H,18,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.90E+4	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))	BDBM226169 (1-[2-(6,7-Dimethoxy)-3-(4-methoxy-phenyl)-4-oxo-3,...) Show SMILES COc1ccc(cc1)-n1c(SCC(=O)NNC(=S)c2ccc(Cl)cc2)nc2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C26H23ClN4O5S2/c1-34-18-10-8-17(9-11-18)31-25(33)19-12-21(35-2)22(36-3)13-20(19)28-26(31)38-14-23(32)29-30-24(37)15-4-6-16(27)7-5-15/h4-13H,14H2,1-3H3,(H,29,32)(H,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.60E+4	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