Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: P41921   

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
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50333880 (CHEMBL1614664 | Hypericin | Pseudohypericin) Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O Show InChI InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description In vitro inhibitory activity against glutathione reductase (GR) from bakers yeast				J Med Chem 46: 1419-28 (2003) Article DOI: 10.1021/jm030762f BindingDB Entry DOI: 10.7270/Q21G0KN9
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171438 (2-Acetylamino-3-[4-(2-acetylamino-2-carboxy-ethyls...) Show SMILES CC(=O)NC(CSC(=O)Nc1ccc(NC(=O)SCC(NC(C)=O)C(O)=O)cc1)C(O)=O Show InChI InChI=1S/C18H22N4O8S2/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-3-5-12(6-4-11)22-18(30)32-8-14(16(27)28)20-10(2)24/h3-6,13-14H,7-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase done for 30 minutes in pH 7.4 at 25 degree C with compound (0.2 mM)				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171440 (2-Acetylamino-3-{4-[4-(2-acetylamino-2-carboxy-eth...) Show SMILES CC(=O)NC(CSC(=O)Nc1ccc(Cc2ccc(NC(=O)SCC(NC(C)=O)C(O)=O)cc2)cc1)C(O)=O Show InChI InChI=1S/C25H28N4O8S2/c1-14(30)26-20(22(32)33)12-38-24(36)28-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)29-25(37)39-13-21(23(34)35)27-15(2)31/h3-10,20-21H,11-13H2,1-2H3,(H,26,30)(H,27,31)(H,28,36)(H,29,37)(H,32,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171441 (2-Acetylamino-3-[4-(2-acetylamino-2-carboxy-ethyls...) Show SMILES CC(=O)NC(CSC(=O)NCc1ccc(NC(=O)SCC(NC(C)=O)C(O)=O)cc1)C(O)=O Show InChI InChI=1S/C19H24N4O8S2/c1-10(24)21-14(16(26)27)8-32-18(30)20-7-12-3-5-13(6-4-12)23-19(31)33-9-15(17(28)29)22-11(2)25/h3-6,14-15H,7-9H2,1-2H3,(H,20,30)(H,21,24)(H,22,25)(H,23,31)(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171444 (2-Acetylamino-3-[3-(2-acetylamino-2-carboxy-ethyls...) Show SMILES CC(=O)NC(CSC(=O)Nc1cccc(NC(=O)SCC(NC(C)=O)C(O)=O)c1)C(O)=O Show InChI InChI=1S/C18H22N4O8S2/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-4-3-5-12(6-11)22-18(30)32-8-14(16(27)28)20-10(2)24/h3-6,13-14H,7-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50015950 (1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...) Show SMILES ClCCNC(=O)N(CCCl)N=O Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.41E+5	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171442 (2-Acetylamino-3-[6-(2-acetylamino-2-carboxy-ethyls...) Show SMILES CC(=O)NC(CSC(=O)NCCCCCCNC(=O)SCC(NC(C)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C18H30N4O8S2/c1-11(23)21-13(15(25)26)9-31-17(29)19-7-5-3-4-6-8-20-18(30)32-10-14(16(27)28)22-12(2)24/h13-14H,3-10H2,1-2H3,(H,19,29)(H,20,30)(H,21,23)(H,22,24)(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.55E+5	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171443 (2-Acetylamino-3-{4-[4-(2-acetylamino-2-carboxy-eth...) Show SMILES CC(=O)NC(CSC(=O)NC1CCC(CC2CCC(CC2)NC(=O)SCC(NC(C)=O)C(O)=O)CC1)C(O)=O |(3.13,-5.44,;1.78,-6.21,;1.78,-7.75,;.45,-5.44,;.45,-3.9,;1.78,-3.13,;3.13,-3.9,;4.46,-3.13,;4.46,-1.59,;5.79,-3.9,;7.14,-3.13,;7.14,-1.59,;8.48,-.82,;9.81,-1.61,;11.15,-.84,;12.48,-1.61,;12.46,-3.16,;13.79,-3.93,;15.13,-3.17,;15.14,-1.63,;13.81,-.85,;16.45,-3.97,;17.78,-3.18,;17.78,-1.64,;19.12,-3.95,;20.45,-3.18,;21.79,-3.95,;21.79,-5.49,;20.45,-6.26,;19.12,-5.49,;20.45,-7.8,;23.12,-3.17,;24.45,-3.94,;23.12,-1.63,;9.8,-3.15,;8.47,-3.9,;-.88,-3.13,;-2.21,-3.9,;-.88,-1.59,)| Show InChI InChI=1S/C25H40N4O8S2/c1-14(30)26-20(22(32)33)12-38-24(36)28-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)29-25(37)39-13-21(23(34)35)27-15(2)31/h16-21H,3-13H2,1-2H3,(H,26,30)(H,27,31)(H,28,36)(H,29,37)(H,32,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.77E+5	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171439 (2-Acetylamino-3-[4-(2-acetylamino-2-carboxy-ethyls...) Show SMILES CC(=O)NC(CSC(=O)NCCCCNC(=O)SCC(NC(C)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C16H26N4O8S2/c1-9(21)19-11(13(23)24)7-29-15(27)17-5-3-4-6-18-16(28)30-8-12(14(25)26)20-10(2)22/h11-12H,3-8H2,1-2H3,(H,17,27)(H,18,28)(H,19,21)(H,20,22)(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.15E+5	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
					More data for this Ligand-Target Pair