Compile Data Set for Download or QSAR

Found 15 hits of ki data for polymerid = 50000853,50004670   

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
Beta-galactosidase (Homo sapiens (Human))	BDBM50254109 (CHEMBL4069909) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Competitive inhibition of human fibroblast lysosomal beta-galactosidase using 4-methylumbelliferyl-beta-D-galactopyranoside as substrate pre-incubate...				Bioorg Med Chem Lett 27: 3431-3435 (2017) Article DOI: 10.1016/j.bmcl.2017.05.086 BindingDB Entry DOI: 10.7270/Q29889D9
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50182795 (5-(dimethylamino)-N-(6-((2R,3S,4R,5S)-3,4,5-trihyd...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO Show InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(18)34(32,33)25-13-5-3-4-6-14-27-15-21(29)24(31)23(30)20(27)16-28/h7-12,20-21,23-25,28-31H,3-6,13-16H2,1-2H3/t20-,21+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...				Bioorg Med Chem Lett 21: 6872-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.012 BindingDB Entry DOI: 10.7270/Q24B31RQ
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50358321 (CHEMBL1922579 | CHEMBL1922581) Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |r,t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amicus Therapeutics Curated by ChEMBL					Assay Description Inhibition of human beta galactosidase				J Med Chem 56: 2705-25 (2013) Article DOI: 10.1021/jm301557k BindingDB Entry DOI: 10.7270/Q26111N4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-galactosidase (Homo sapiens (Human))	BDBM50358321 (CHEMBL1922579 | CHEMBL1922581) Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |r,t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Competitive inhibition of human fibroblast lysosomal beta-galactosidase using 4-methylumbelliferyl-beta-D-galactopyranoside as substrate pre-incubate...				Bioorg Med Chem Lett 27: 3431-3435 (2017) Article DOI: 10.1016/j.bmcl.2017.05.086 BindingDB Entry DOI: 10.7270/Q29889D9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-galactosidase (Homo sapiens (Human))	BDBM50246569 (CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy...) Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r| Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...				Bioorg Med Chem Lett 21: 6872-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.012 BindingDB Entry DOI: 10.7270/Q24B31RQ
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50356097 (CHEMBL461161) Show SMILES COC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r| Show InChI InChI=1S/C25H37N3O8S/c1-27(2)19-11-6-9-17-16(19)8-7-12-22(17)37(34,35)26-18(25(33)36-3)10-4-5-13-28-14-21(30)24(32)23(31)20(28)15-29/h6-9,11-12,18,20-21,23-24,26,29-32H,4-5,10,13-15H2,1-3H3/t18-,20+,21-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...				Bioorg Med Chem Lett 21: 6872-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.012 BindingDB Entry DOI: 10.7270/Q24B31RQ
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50356096 (CHEMBL1911831) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C30H48N4O7S/c1-33(2)24-14-10-13-23-22(24)12-11-15-27(23)42(40,41)32-18-8-4-3-7-17-31-28(37)16-6-5-9-19-34-20-26(36)30(39)29(38)25(34)21-35/h10-15,25-26,29-30,32,35-36,38-39H,3-9,16-21H2,1-2H3,(H,31,37)/t25-,26+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...				Bioorg Med Chem Lett 21: 6872-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.012 BindingDB Entry DOI: 10.7270/Q24B31RQ
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition constant against Beta-galactosidase from Jack beans; Mixed (Non competitive and competitive)				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibitor concentration of the compound against alpha-L-Fucosidase from Bovine epididymis				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50075942 (CHEMBL165192 | N-[2,5-Dihydroxy-6-hydroxymethyl-4-...) Show SMILES CC(=O)N[C@H]1C(O)O[C@H](C(O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C15H27NO10/c1-5(19)16-10-6(14(7(20)3-17)26-15(10)24)2-8-11(21)13(23)12(22)9(4-18)25-8/h6-15,17-18,20-24H,2-4H2,1H3,(H,16,19)/t6-,7?,8-,9-,10-,11-,12-,13-,14+,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition constant of the compound against beta-galactosidase enzyme of jack bean was reported				Bioorg Med Chem Lett 9: 793-6 (1999) BindingDB Entry DOI: 10.7270/Q2K073FM
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50254118 (CHEMBL4090899) Show SMILES NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C12H26N2O4/c13-5-3-1-2-4-6-14-9-8(7-15)10(16)12(18)11(9)17/h8-12,14-18H,1-7,13H2/t8-,9+,10-,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Competitive inhibition of human fibroblast lysosomal beta-galactosidase using 4-methylumbelliferyl-beta-D-galactopyranoside as substrate pre-incubate...				Bioorg Med Chem Lett 27: 3431-3435 (2017) Article DOI: 10.1016/j.bmcl.2017.05.086 BindingDB Entry DOI: 10.7270/Q29889D9
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50403937 (CHEMBL2114149) Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition constant (Competitive) of the compound against Beta-galactosidasee from Aspergillus niger was tested at a dose of 1 mM				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50104296 (2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol | CHE...) Show SMILES OC(O)CC1NCC(O)C1O Show InChI InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Section de Chimie de l'Universit£ de Lausanne Curated by ChEMBL					Assay Description Inhibitory activity towards Beta-galactosidase from Jack bean				Bioorg Med Chem Lett 11: 2489-93 (2001) BindingDB Entry DOI: 10.7270/Q2H70GBZ
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50073992 (((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...) Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9| Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition of beta-glucosidase from Caldocellum saccharolyticum				Bioorg Med Chem Lett 9: 277-8 (1999) BindingDB Entry DOI: 10.7270/Q28051T5
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50298560 (1-(beta-D-galactopyranosyl)-4-phenyl-1,2,3-triazol...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n1cc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11+,12+,13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of beta-galactosidase				Bioorg Med Chem 17: 5117-25 (2009) Article DOI: 10.1016/j.bmc.2009.05.056 BindingDB Entry DOI: 10.7270/Q2ZW1M03
					More data for this Ligand-Target Pair