Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 5041   

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
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84968 (Urea derivative, 12) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1O Show InChI InChI=1S/C21H16F2N2O3/c22-15-6-9-18(17(23)12-15)25-21(28)24-16-7-3-13(4-8-16)1-2-14-5-10-19(26)20(27)11-14/h1-12,26-27H,(H2,24,25,28)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84969 (Urea derivative, 13) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1O Show InChI InChI=1S/C21H17ClN2O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,(H2,23,24,27)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84967 (Urea derivative, 11) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1O Show InChI InChI=1S/C21H17FN2O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,(H2,23,24,27)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84972 (Urea derivative, 16) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1 Show InChI InChI=1S/C21H16F2N2O2/c22-16-7-12-20(19(23)13-16)25-21(27)24-17-8-3-14(4-9-17)1-2-15-5-10-18(26)11-6-15/h1-13,26H,(H2,24,25,27)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84963 (Urea derivative, 7) Show SMILES COc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)c(O)c3)cc2)cc1 Show InChI InChI=1S/C22H20N2O4/c1-28-19-11-9-18(10-12-19)24-22(27)23-17-7-4-15(5-8-17)2-3-16-6-13-20(25)21(26)14-16/h2-14,25-26H,1H3,(H2,23,24,27)/b3-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84962 (Urea derivative, 6) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)cc1O Show InChI InChI=1S/C21H18N2O3/c24-19-13-10-16(14-20(19)25)7-6-15-8-11-18(12-9-15)23-21(26)22-17-4-2-1-3-5-17/h1-14,24-25H,(H2,22,23,26)/b7-6+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	4.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84966 (Urea derivative, 10) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)cc1O Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-10-18(11-7-16)27-21(30)26-17-8-3-14(4-9-17)1-2-15-5-12-19(28)20(29)13-15/h1-13,28-29H,(H2,26,27,30)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84970 (Urea derivative, 14) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 Show InChI InChI=1S/C21H18N2O2/c24-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)23-21(25)22-18-4-2-1-3-5-18/h1-15,24H,(H2,22,23,25)/b7-6+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+4	n/a	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.15E+4	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84959 (Stilbene derivative, 2) Show SMILES Nc1ccc(\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C14H13NO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,16-17H,15H2/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.51E+4	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84973 (Urea derivative, 17) Show SMILES Oc1cc(O)cc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)c1 Show InChI InChI=1S/C21H18N2O3/c24-19-12-16(13-20(25)14-19)7-6-15-8-10-18(11-9-15)23-21(26)22-17-4-2-1-3-5-17/h1-14,24-25H,(H2,22,23,26)/b7-6+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84971 (Urea derivative, 15) Show SMILES COc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)cc3)cc2)cc1 Show InChI InChI=1S/C22H20N2O3/c1-27-21-14-10-19(11-15-21)24-22(26)23-18-8-4-16(5-9-18)2-3-17-6-12-20(25)13-7-17/h2-15,25H,1H3,(H2,23,24,26)/b3-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84965 (Urea derivative, 9) Show SMILES Cc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)c(O)c3)cc2)cc1 Show InChI InChI=1S/C22H20N2O3/c1-15-2-9-18(10-3-15)23-22(27)24-19-11-6-16(7-12-19)4-5-17-8-13-20(25)21(26)14-17/h2-14,25-26H,1H3,(H2,23,24,27)/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84975 (Urea derivative, 19) Show SMILES Oc1cc(O)cc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)c1 Show InChI InChI=1S/C21H16F2N2O3/c22-15-5-8-20(19(23)11-15)25-21(28)24-16-6-3-13(4-7-16)1-2-14-9-17(26)12-18(27)10-14/h1-12,26-27H,(H2,24,25,28)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84964 (Urea derivative, 8) Show SMILES Nc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)c(O)c3)cc2)cc1 Show InChI InChI=1S/C21H19N3O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,22H2,(H2,23,24,27)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50322066 (3,5-Dihydroxyl-4'-amino-trans-stilbene | CHEMBL117...) Show SMILES Nc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H13NO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H,15H2/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84974 (Urea derivative, 18) Show SMILES COc1ccc(NC(=O)Nc2ccc(\C=C\c3cc(O)cc(O)c3)cc2)cc1 Show InChI InChI=1S/C22H20N2O4/c1-28-21-10-8-18(9-11-21)24-22(27)23-17-6-4-15(5-7-17)2-3-16-12-19(25)14-20(26)13-16/h2-14,25-26H,1H3,(H2,23,24,27)/b3-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84960 (Stilbene derivative, 4) Show SMILES CNc1ccc(\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H15NO2/c1-16-13-7-4-11(5-8-13)2-3-12-6-9-14(17)15(18)10-12/h2-10,16-18H,1H3/b3-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM50173649 (4-[(E)-2-(4-Amino-phenyl)-vinyl]-phenol | CHEMBL19...) Show SMILES Nc1ccc(\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C14H13NO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,16H,15H2/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84961 (Stilbene derivative, 5) Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C16H15NO3/c1-11(18)17-14-7-4-12(5-8-14)2-3-13-6-9-15(19)16(20)10-13/h2-10,19-20H,1H3,(H,17,18)/b3-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair