Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 5547   

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
6-phosphogluconate dehydrogenase, decarboxylating (Homo sapiens (Human))	BDBM87064 (Sulfonamide derivative, 5) Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(CC4CC(CCC4(C)C3CC(OC(C)=O)C12C)OC(C)=O)OC(C)=O Show InChI InChI=1S/C32H48N4O9S2/c1-16(7-10-27(40)34-29-35-36-30(46-29)47(33,41)42)22-8-9-23-28-24(15-26(32(22,23)6)45-19(4)39)31(5)12-11-21(43-17(2)37)13-20(31)14-25(28)44-18(3)38/h16,20-26,28H,7-15H2,1-6H3,(H2,33,41,42)(H,34,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...				J Enzyme Inhib Med Chem 23: 418-23 (2008) Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP
					More data for this Ligand-Target Pair
Glutathione-disulfide reductase (Escherichia coli)	BDBM87062 (Sulfonamide derivative, 2) Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-7-21(33)28-23-29-30-24(36-23)37(27,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(31)12-15(25)13-20(22)32/h14-20,22,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10E+3	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...				J Enzyme Inhib Med Chem 23: 418-23 (2008) Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP
					More data for this Ligand-Target Pair
Glutathione-disulfide reductase (Escherichia coli)	BDBM87061 (Sulfonamide derivative, 1) Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C Show InChI InChI=1S/C26H42N4O4S2/c1-15(4-9-22(32)28-23-29-30-24(35-23)36(27,33)34)19-7-8-20-18-6-5-16-14-17(31)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-21,31H,4-14H2,1-3H3,(H2,27,33,34)(H,28,29,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7.23E+4	n/a	4.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...				J Enzyme Inhib Med Chem 23: 418-23 (2008) Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating (Homo sapiens (Human))	BDBM87063 (Sulfonamide derivative, 3) Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C Show InChI InChI=1S/C26H42N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-20,22,31-33H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.78E+4	n/a	6.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...				J Enzyme Inhib Med Chem 23: 418-23 (2008) Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP
					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating (Homo sapiens (Human))	BDBM50043906 (CHEMBL269001 | Dorzolamide | MK-507 | US10172837, ...) Show SMILES CCNC1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.14E+6	n/a	1.41E+6	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...				J Enzyme Inhib Med Chem 23: 418-23 (2008) Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP
					More data for this Ligand-Target Pair