Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'rupitz' and Initial = 'k'   

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-glucosidase (Agrobacterium tumefaciens)	BDBM50182801 ((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...) Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Agrobacterium sp. beta-glucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of human liver alpha-L-fucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-glucosidase (Agrobacterium tumefaciens)	BDBM50182793 (CHEMBL208677 | N-(2-(1-(dimethylamino)naphthalene-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C26H40N4O7S/c1-29(2)20-10-6-9-19-18(20)8-7-11-23(19)38(36,37)28-14-13-27-24(33)12-4-3-5-15-30-16-22(32)26(35)25(34)21(30)17-31/h6-11,21-22,25-26,28,31-32,34-35H,3-5,12-17H2,1-2H3,(H,27,33)/t21-,22+,25-,26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Agrobacterium sp. beta-glucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-glucosidase (Agrobacterium tumefaciens)	BDBM50182796 (5-(dimethylamino)-N-(6-((2R,3R,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	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Agrobacterium sp. beta-glucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50182797 (5-(dimethylamino)-N-(6-((2S,3R,4S,5R)-3,4,5-trihyd...) Show SMILES C[C@H]1[C@@H](O)[C@@H](O)[C@H](O)CN1CCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C24H37N3O5S/c1-17-23(29)24(30)21(28)16-27(17)15-7-5-4-6-14-25-33(31,32)22-13-9-10-18-19(22)11-8-12-20(18)26(2)3/h8-13,17,21,23-25,28-30H,4-7,14-16H2,1-3H3/t17-,21+,23+,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of human liver alpha-L-fucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-galactosidase (Rhizobium meliloti)	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	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Agrobacterium sp. beta-galactosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-glucosidase (Agrobacterium tumefaciens)	BDBM50182794 (4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)-N-(6-((...) Show SMILES CN(C)c1ccc(cc1)-c1cnc(o1)-c1ccc(cc1)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C29H40N4O7S/c1-32(2)22-11-7-20(8-12-22)26-17-30-29(40-26)21-9-13-23(14-10-21)41(38,39)31-15-5-3-4-6-16-33-18-25(35)28(37)27(36)24(33)19-34/h7-14,17,24-25,27-28,31,34-37H,3-6,15-16,18-19H2,1-2H3/t24-,25+,27-,28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Agrobacterium sp. beta-glucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-N-acetylhexosaminidase (Streptomyces coelicolor)	BDBM50182803 (CHEMBL205036 | N-((3S,4R,5R,6R)-1-(6-(1-(dimethyla...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C26H40N4O6S/c1-18(32)28-21-16-30(23(17-31)26(34)25(21)33)15-7-5-4-6-14-27-37(35,36)24-13-9-10-19-20(24)11-8-12-22(19)29(2)3/h8-13,21,23,25-27,31,33-34H,4-7,14-17H2,1-3H3,(H,28,32)/t21-,23+,25+,26+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Streptomyces plicatus beta-D-hexosaminidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-xylosidase (Thermoanaerobacter saccharolyticum)	BDBM50182802 (5-(dimethylamino)-N-(6-((3R,4r,5S)-3,4,5-trihydrox...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1 Show InChI InChI=1S/C23H35N3O5S/c1-25(2)19-11-7-10-18-17(19)9-8-12-22(18)32(30,31)24-13-5-3-4-6-14-26-15-20(27)23(29)21(28)16-26/h7-12,20-21,23-24,27-29H,3-6,13-16H2,1-2H3/t20-,21+,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Thermoanaerobacterium saccharolyticum beta-xylosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-glucosidase (Agrobacterium tumefaciens)	BDBM50182799 (CHEMBL205592 | N-(6-((3R,4R,5R)-3,4-dihydroxy-5-(h...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 Show InChI InChI=1S/C24H37N3O5S/c1-26(2)21-11-7-10-20-19(21)9-8-12-23(20)33(31,32)25-13-5-3-4-6-14-27-15-18(17-28)24(30)22(29)16-27/h7-12,18,22,24-25,28-30H,3-6,13-17H2,1-2H3/t18-,22-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Agrobacterium sp. beta-glucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-glucosidase (Agrobacterium tumefaciens)	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Agrobacterium sp. beta-glucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-galactosidase (Rhizobium meliloti)	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| 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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Agrobacterium sp. beta-galactosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
alpha-1,2-Mannosidase (Glycine max)	BDBM50065259 ((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r| 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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of jack beans alpha-mannosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
alpha-1,2-Mannosidase (Glycine max)	BDBM50182794 (4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)-N-(6-((...) Show SMILES CN(C)c1ccc(cc1)-c1cnc(o1)-c1ccc(cc1)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C29H40N4O7S/c1-32(2)22-11-7-20(8-12-22)26-17-30-29(40-26)21-9-13-23(14-10-21)41(38,39)31-15-5-3-4-6-16-33-18-25(35)28(37)27(36)24(33)19-34/h7-14,17,24-25,27-28,31,34-37H,3-6,15-16,18-19H2,1-2H3/t24-,25+,27-,28-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of jack beans alpha-mannosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
alpha-1,2-Mannosidase (Glycine max)	BDBM50182800 (5-(dimethylamino)-N-(6-((2R,3R,4R,5R)-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	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of jack beans alpha-mannosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-N-acetylhexosaminidase (Streptomyces coelicolor)	BDBM50182804 (2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...) Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Streptomyces plicatus beta-D-hexosaminidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Beta-xylosidase (Thermoanaerobacter saccharolyticum)	BDBM50182798 ((3R,4r,5S)-piperidine-3,4,5-triol | 1,5-Dideoxy-1,...) Show SMILES O[C@H]1CNC[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.06E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of Thermoanaerobacterium saccharolyticum beta-xylosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50286729 (6-Hydroxymethyl-5-(3-hydroxy-pyridin-2-ylsulfanyl)...) Show SMILES COC1OC(CO)C(Sc2ncccc2O)C(O)C1O Show InChI InChI=1S/C12H17NO6S/c1-18-12-9(17)8(16)10(7(5-14)19-12)20-11-6(15)3-2-4-13-11/h2-4,7-10,12,14-17H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for competitive inhibitory activity against beta-Glucosidase				Bioorg Med Chem Lett 5: 763-766 (1995) Article DOI: 10.1016/0960-894X(95)00111-6 BindingDB Entry DOI: 10.7270/Q22B8Z09
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50286728 (5-(3-Hydroxy-6-hydroxymethyl-pyridin-2-ylsulfanyl)...) Show SMILES COC1OC(CO)C(Sc2nc(CO)ccc2O)C(O)C1O Show InChI InChI=1S/C13H19NO7S/c1-20-13-10(19)9(18)11(8(5-16)21-13)22-12-7(17)3-2-6(4-15)14-12/h2-3,8-11,13,15-19H,4-5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for competitive inhibitory activity against beta-Glucosidase				Bioorg Med Chem Lett 5: 763-766 (1995) Article DOI: 10.1016/0960-894X(95)00111-6 BindingDB Entry DOI: 10.7270/Q22B8Z09
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50286727 (6-Hydroxymethyl-5-(3-hydroxy-6-methyl-pyridin-2-yl...) Show SMILES COC1OC(CO)C(Sc2nc(C)ccc2O)C(O)C1O Show InChI InChI=1S/C13H19NO6S/c1-6-3-4-7(16)12(14-6)21-11-8(5-15)20-13(19-2)10(18)9(11)17/h3-4,8-11,13,15-18H,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for competitive inhibitory activity against beta-Glucosidase				Bioorg Med Chem Lett 5: 763-766 (1995) Article DOI: 10.1016/0960-894X(95)00111-6 BindingDB Entry DOI: 10.7270/Q22B8Z09
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50421365 (CHEMBL2303777) Show SMILES CO[C@@H]1O[C@@H](CO)[C@@H](Oc2cccnc2S[C@@H]2[C@H](CO)O[C@@H](OC)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H29NO11S/c1-27-18-13(25)11(23)15(9(6-21)30-18)29-8-4-3-5-20-17(8)32-16-10(7-22)31-19(28-2)14(26)12(16)24/h3-5,9-16,18-19,21-26H,6-7H2,1-2H3/t9-,10-,11+,12+,13-,14-,15+,16+,18+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for competitive inhibitory activity against beta-Glucosidase				Bioorg Med Chem Lett 5: 763-766 (1995) Article DOI: 10.1016/0960-894X(95)00111-6 BindingDB Entry DOI: 10.7270/Q22B8Z09
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50286732 (6-Hydroxymethyl-2-methoxy-5-(pyridin-2-ylsulfanyl)...) Show SMILES COC1OC(CO)C(Sc2ccccn2)C(O)C1O Show InChI InChI=1S/C12H17NO5S/c1-17-12-10(16)9(15)11(7(6-14)18-12)19-8-4-2-3-5-13-8/h2-5,7,9-12,14-16H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for competitive inhibitory activity against beta-Glucosidase				Bioorg Med Chem Lett 5: 763-766 (1995) Article DOI: 10.1016/0960-894X(95)00111-6 BindingDB Entry DOI: 10.7270/Q22B8Z09
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50286730 (5-(6-Dimethylaminomethyl-3-hydroxy-pyridin-2-ylsul...) Show SMILES COC1OC(CO)C(Sc2nc(CN(C)C)ccc2O)C(O)C1O Show InChI InChI=1S/C15H24N2O6S/c1-17(2)6-8-4-5-9(19)14(16-8)24-13-10(7-18)23-15(22-3)12(21)11(13)20/h4-5,10-13,15,18-21H,6-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for competitive inhibitory activity against beta-Glucosidase				Bioorg Med Chem Lett 5: 763-766 (1995) Article DOI: 10.1016/0960-894X(95)00111-6 BindingDB Entry DOI: 10.7270/Q22B8Z09
					More data for this Ligand-Target Pair