Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50000707   

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
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259150 (CHEMBL4097406) Show SMILES Clc1ccc(Cl)c(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c1 Show InChI InChI=1S/C26H19Cl2N7OS/c27-19-11-12-21(28)22(13-19)29-23(36)15-35-14-20(31-34-35)16-37-26-30-24(17-7-3-1-4-8-17)25(32-33-26)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,29,36)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259149 (CHEMBL4067517) Show SMILES FC(F)(F)c1cccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c1 Show InChI InChI=1S/C27H20F3N7OS/c28-27(29,30)20-12-7-13-21(14-20)31-23(38)16-37-15-22(33-36-37)17-39-26-32-24(18-8-3-1-4-9-18)25(34-35-26)19-10-5-2-6-11-19/h1-15H,16-17H2,(H,31,38)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259121 (CHEMBL4105111) Show SMILES CCOc1ccccc1NC(=O)Cn1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nn1 Show InChI InChI=1S/C28H25N7O2S/c1-2-37-24-16-10-9-15-23(24)29-25(36)18-35-17-22(31-34-35)19-38-28-30-26(20-11-5-3-6-12-20)27(32-33-28)21-13-7-4-8-14-21/h3-17H,2,18-19H2,1H3,(H,29,36)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259151 (CHEMBL4079905) Show SMILES Clc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C26H20ClN7OS/c27-20-11-13-21(14-12-20)28-23(35)16-34-15-22(30-33-34)17-36-26-29-24(18-7-3-1-4-8-18)25(31-32-26)19-9-5-2-6-10-19/h1-15H,16-17H2,(H,28,35)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259122 (CHEMBL4070225) Show SMILES CCOc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C28H25N7O2S/c1-2-37-24-15-13-22(14-16-24)29-25(36)18-35-17-23(31-34-35)19-38-28-30-26(20-9-5-3-6-10-20)27(32-33-28)21-11-7-4-8-12-21/h3-17H,2,18-19H2,1H3,(H,29,36)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259120 (CHEMBL4080877) Show SMILES COc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C27H23N7O2S/c1-36-23-14-12-21(13-15-23)28-24(35)17-34-16-22(30-33-34)18-37-27-29-25(19-8-4-2-5-9-19)26(31-32-27)20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H,28,35)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259152 (CHEMBL4060476) Show SMILES Cc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C27H23N7OS/c1-19-12-14-22(15-13-19)28-24(35)17-34-16-23(30-33-34)18-36-27-29-25(20-8-4-2-5-9-20)26(31-32-27)21-10-6-3-7-11-21/h2-16H,17-18H2,1H3,(H,28,35)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259126 (CHEMBL4089685) Show SMILES Clc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N7OS/c27-19-11-12-22(21(28)13-19)29-23(36)15-35-14-20(31-34-35)16-37-26-30-24(17-7-3-1-4-8-17)25(32-33-26)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,29,36)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259129 (CHEMBL4071884) Show SMILES Cc1cccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c1 Show InChI InChI=1S/C27H23N7OS/c1-19-9-8-14-22(15-19)28-24(35)17-34-16-23(30-33-34)18-36-27-29-25(20-10-4-2-5-11-20)26(31-32-27)21-12-6-3-7-13-21/h2-16H,17-18H2,1H3,(H,28,35)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259123 (CHEMBL4061562) Show SMILES Fc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C26H20FN7OS/c27-20-11-13-21(14-12-20)28-23(35)16-34-15-22(30-33-34)17-36-26-29-24(18-7-3-1-4-8-18)25(31-32-26)19-9-5-2-6-10-19/h1-15H,16-17H2,(H,28,35)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259127 (CHEMBL4097932) Show SMILES Cc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c(C)c1 Show InChI InChI=1S/C28H25N7OS/c1-19-13-14-24(20(2)15-19)29-25(36)17-35-16-23(31-34-35)18-37-28-30-26(21-9-5-3-6-10-21)27(32-33-28)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3,(H,29,36)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259130 (CHEMBL4082380) Show SMILES O=C(Cn1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nn1)Nc1ccccc1 Show InChI InChI=1S/C26H21N7OS/c34-23(27-21-14-8-3-9-15-21)17-33-16-22(29-32-33)18-35-26-28-24(19-10-4-1-5-11-19)25(30-31-26)20-12-6-2-7-13-20/h1-16H,17-18H2,(H,27,34)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50259128 (CHEMBL4098875) Show SMILES Cc1ccccc1NC(=O)Cn1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nn1 Show InChI InChI=1S/C27H23N7OS/c1-19-10-8-9-15-23(19)28-24(35)17-34-16-22(30-33-34)18-36-27-29-25(20-11-4-2-5-12-20)26(31-32-27)21-13-6-3-7-14-21/h2-16H,17-18H2,1H3,(H,28,35)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM23406 ((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...) Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37| Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 125: 423-429 (2017) Article DOI: 10.1016/j.ejmech.2016.09.067 BindingDB Entry DOI: 10.7270/Q2HD7Z30
					More data for this Ligand-Target Pair