Compile Data Set for Download or QSAR

Found 572 hits with Last Name = 'wadood' and Initial = 'a'   

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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175363 (Ethyl 2-hydrazinyl-1,4-dimethyl-6-(p-nitrophenyl)-...) Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(cc1)[N+]([O-])=O |c:5,t:8| Show InChI InChI=1S/C15H19N5O4/c1-4-24-14(21)12-9(2)17-15(18-16)19(3)13(12)10-5-7-11(8-6-10)20(22)23/h5-8,13H,4,16H2,1-3H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.46E+4	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175361 (Methyl 2-hydrazinyl-1,4-dimethyl-6-(p-tolyl)-1,6-d...) Show SMILES COC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(C)cc1 |c:4,t:7| Show InChI InChI=1S/C15H20N4O2/c1-9-5-7-11(8-6-9)13-12(14(20)21-4)10(2)17-15(18-16)19(13)3/h5-8,13H,16H2,1-4H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175362 (Ethyl 2-hydrazinyl-6-(3-hydroxyphenyl)-1,4-dimethy...) Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1cccc(O)c1 |c:5,t:8| Show InChI InChI=1S/C15H20N4O3/c1-4-22-14(21)12-9(2)17-15(18-16)19(3)13(12)10-6-5-7-11(20)8-10/h5-8,13,20H,4,16H2,1-3H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.53E+4	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175352 (Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydr...) Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1 |c:5| Show InChI InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.58E+4	n/a	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175353 (Ethyl 6-methyl-4-(p-tolyl)-2-thioxo-1,2,3,4-tetrah...) Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1 |c:5| Show InChI InChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(3)16-15(20)17-13(12)11-7-5-9(2)6-8-11/h5-8,13H,4H2,1-3H3,(H2,16,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	4.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175358 (Ethyl 2-hydrazinyl-1,4-dimethyl-6-phenyl-1,6-dihyd...) Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccccc1 |c:5,t:8| Show InChI InChI=1S/C15H20N4O2/c1-4-21-14(20)12-10(2)17-15(18-16)19(3)13(12)11-8-6-5-7-9-11/h5-9,13H,4,16H2,1-3H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.76E+4	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175357 (Ethyl 6-methyl-4-(p-nitrophenyl)-2-thioxo-1,2,3,4-...) Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)[N+]([O-])=O |c:5| Show InChI InChI=1S/C14H15N3O4S/c1-3-21-13(18)11-8(2)15-14(22)16-12(11)9-4-6-10(7-5-9)17(19)20/h4-7,12H,3H2,1-2H3,(H2,15,16,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.94E+4	n/a	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175360 (Methyl 2-hydrazinyl-1,4-dimethyl-6-phenyl-1,6-dihy...) Show SMILES COC(=O)C1=C(C)N=C(NN)N(C)C1c1ccccc1 |c:4,t:7| Show InChI InChI=1S/C14H18N4O2/c1-9-11(13(19)20-3)12(10-7-5-4-6-8-10)18(2)14(16-9)17-15/h4-8,12H,15H2,1-3H3,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.99E+4	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50229993 (2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...) Show SMILES NC(N)=S Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.00E+4	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175355 (Methyl 6-methyl-4-(p-tolyl)-2-thioxo-1,2,3,4-tetra...) Show SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C14H16N2O2S/c1-8-4-6-10(7-5-8)12-11(13(17)18-3)9(2)15-14(19)16-12/h4-7,12H,1-3H3,(H2,15,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	n/a	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175354 (Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahyd...) Show SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccccc1 |c:4| Show InChI InChI=1S/C13H14N2O2S/c1-8-10(12(16)17-2)11(15-13(18)14-8)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H2,14,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.28E+4	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175356 (Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,...) Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1 |c:5| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.57E+4	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175359 (Ethyl 2-hydrazinyl-1,4-dimethyl-6-(p-tolyl)-1,6-di...) Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(C)cc1 |c:5,t:8| Show InChI InChI=1S/C16H22N4O2/c1-5-22-15(21)13-11(3)18-16(19-17)20(4)14(13)12-8-6-10(2)7-9-12/h6-9,14H,5,17H2,1-4H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.94E+4	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM11023 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM193719 (2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(2-fluoro...) Show SMILES Fc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H24FN5OS/c32-25-9-3-6-12-28(25)35-31(39)37-36-30(38)20-15-13-19(14-16-20)29(23-17-33-26-10-4-1-7-21(23)26)24-18-34-27-11-5-2-8-22(24)27/h1-18,29,33-34H,(H,36,38)(H2,35,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA					Assay Description β-Glucuronidase activity was determined by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometr...				Bioorg Chem 68: 56-63 (2016) Article DOI: 10.1016/j.bioorg.2016.07.008 BindingDB Entry DOI: 10.7270/Q2RV0MGS
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM193733 (2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(3,4-dich...) Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1Cl Show InChI InChI=1S/C31H23Cl2N5OS/c32-25-14-13-20(15-26(25)33)36-31(40)38-37-30(39)19-11-9-18(10-12-19)29(23-16-34-27-7-3-1-5-21(23)27)24-17-35-28-8-4-2-6-22(24)28/h1-17,29,34-35H,(H,37,39)(H2,36,38,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA					Assay Description β-Glucuronidase activity was determined by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometr...				Bioorg Chem 68: 56-63 (2016) Article DOI: 10.1016/j.bioorg.2016.07.008 BindingDB Entry DOI: 10.7270/Q2RV0MGS
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM60585 (2-(3'-Fluorophenyl)-7-methyl-1H-benzo[d]imidazole ...) Show SMILES Cc1cccc2nc([nH]c12)-c1cccc(F)c1 Show InChI InChI=1S/C14H11FN2/c1-9-4-2-7-12-13(9)17-14(16-12)10-5-3-6-11(15)8-10/h2-8H,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 µL), and 20 µL of test sample with 70% DMSO was added to 96-well plate. ...				Bioorg Chem 65: 100-9 (2016) Article DOI: 10.1016/j.bioorg.2016.02.004 BindingDB Entry DOI: 10.7270/Q24B303S
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM193734 (2-(4-(di(1H-indol-3-yl)methyl)benzoyl)-N-(4(triflu...) Show SMILES FC(F)(F)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C32H24F3N5OS/c33-32(34,35)21-13-15-22(16-14-21)38-31(42)40-39-30(41)20-11-9-19(10-12-20)29(25-17-36-27-7-3-1-5-23(25)27)26-18-37-28-8-4-2-6-24(26)28/h1-18,29,36-37H,(H,39,41)(H2,38,40,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA					Assay Description β-Glucuronidase activity was determined by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometr...				Bioorg Chem 68: 56-63 (2016) Article DOI: 10.1016/j.bioorg.2016.07.008 BindingDB Entry DOI: 10.7270/Q2RV0MGS
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129797 (CHEMBL3629072) Show SMILES Fc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H20F2N4S4/c27-17-9-13-19(14-10-17)29-25(33)31-21-5-1-3-7-23(21)35-36-24-8-4-2-6-22(24)32-26(34)30-20-15-11-18(28)12-16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM193720 (N-(2-Chlorophenyl)-2-(4-(di(1H-indol-3-yl)methyl)b...) Show SMILES Clc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H24ClN5OS/c32-25-9-3-6-12-28(25)35-31(39)37-36-30(38)20-15-13-19(14-16-20)29(23-17-33-26-10-4-1-7-21(23)26)24-18-34-27-11-5-2-8-22(24)27/h1-18,29,33-34H,(H,36,38)(H2,35,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA					Assay Description β-Glucuronidase activity was determined by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometr...				Bioorg Chem 68: 56-63 (2016) Article DOI: 10.1016/j.bioorg.2016.07.008 BindingDB Entry DOI: 10.7270/Q2RV0MGS
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50019283 (CHEMBL3289121) Show SMILES CCOc1ccccc1-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O2/c1-2-20-14-10-6-4-8-12(14)15-17-13-9-5-3-7-11(13)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Compound was tested for TXA2 receptor antagonism by measuring its ability to inhibit contraction of rat aorta induced by the stable TXA2 agonist U-46...				Eur J Med Chem 139: 849-864 (2017) Article DOI: 10.1016/j.ejmech.2017.08.052 BindingDB Entry DOI: 10.7270/Q20P12HF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129738 (CHEMBL3629545) Show SMILES Fc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1F Show InChI InChI=1S/C26H20F2N4S4/c27-17-9-1-3-11-19(17)29-25(33)31-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)32-26(34)30-20-12-4-2-10-18(20)28/h1-16H,(H2,29,31,33)(H2,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM11023 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM50510735 (CHEMBL4567565) Show SMILES COc1cc(O)ccc1-c1nnc(o1)-c1ccc(cc1)-c1nnc(s1)-c1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C23H13Cl3N4O3S/c1-32-18-10-14(31)6-7-15(18)21-28-27-20(33-21)11-2-4-12(5-3-11)22-29-30-23(34-22)19-16(25)8-13(24)9-17(19)26/h2-10,31H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of human beta-glucuronidase pre-incubated for 30 mins before p-nitrophenyl-beta-D-glucuronide substrate addition by spectrophotometry				Bioorg Med Chem 27: 3145-3155 (2019) Article DOI: 10.1016/j.bmc.2019.05.049 BindingDB Entry DOI: 10.7270/Q2DR2ZVG
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50019166 (CHEMBL336718) Show SMILES COc1ccc(cc1)-c1nc(O)c2ccccc2n1 Show InChI InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Compound was tested for TXA2 receptor antagonism by measuring its ability to inhibit contraction of rat aorta induced by the stable TXA2 agonist U-46...				Eur J Med Chem 139: 849-864 (2017) Article DOI: 10.1016/j.ejmech.2017.08.052 BindingDB Entry DOI: 10.7270/Q20P12HF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129802 (CHEMBL3629548) Show SMILES Cc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1C Show InChI InChI=1S/C28H26N4S4/c1-19-11-3-5-13-21(19)29-27(33)31-23-15-7-9-17-25(23)35-36-26-18-10-8-16-24(26)32-28(34)30-22-14-6-4-12-20(22)2/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50233861 (CHEMBL4084524) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(F)c(F)cc1Cl)[N+]([O-])=O Show InChI InChI=1S/C13H10ClF2N3O4/c1-7-17-6-12(19(21)22)18(7)2-3-23-13(20)8-4-10(15)11(16)5-9(8)14/h4-6H,2-3H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...				Eur J Med Chem 125: 1289-1299 (2017) Article DOI: 10.1016/j.ejmech.2016.11.031 BindingDB Entry DOI: 10.7270/Q2125VXZ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129798 (CHEMBL3629071) Show SMILES Cc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(C)cc2)cc1 Show InChI InChI=1S/C28H26N4S4/c1-19-11-15-21(16-12-19)29-27(33)31-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)32-28(34)30-22-17-13-20(2)14-18-22/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM50510743 (CHEMBL4462023) Show SMILES COc1cc(O)ccc1-c1nnc(o1)-c1ccc(cc1)-c1nnc(s1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C23H16N4O5S/c1-31-19-11-15(28)7-8-16(19)21-25-24-20(32-21)12-2-4-13(5-3-12)22-26-27-23(33-22)14-6-9-17(29)18(30)10-14/h2-11,28-30H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of human beta-glucuronidase pre-incubated for 30 mins before p-nitrophenyl-beta-D-glucuronide substrate addition by spectrophotometry				Bioorg Med Chem 27: 3145-3155 (2019) Article DOI: 10.1016/j.bmc.2019.05.049 BindingDB Entry DOI: 10.7270/Q2DR2ZVG
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181084 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-nitrophen...) Show SMILES [O-][N+](=O)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C21H15N5O3S2/c27-19(24-25-21(30)22-15-9-11-16(12-10-15)26(28)29)13-5-7-14(8-6-13)20-23-17-3-1-2-4-18(17)31-20/h1-12H,(H,24,27)(H2,22,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129744 (CHEMBL3629078) Show SMILES Fc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(F)c2)c1 Show InChI InChI=1S/C26H20F2N4S4/c27-17-7-5-9-19(15-17)29-25(33)31-21-11-1-3-13-23(21)35-36-24-14-4-2-12-22(24)32-26(34)30-20-10-6-8-18(28)16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129746 (CHEMBL3629076) Show SMILES FC(F)(F)c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H20F6N4S4/c29-27(30,31)17-9-13-19(14-10-17)35-25(39)37-21-5-1-3-7-23(21)41-42-24-8-4-2-6-22(24)38-26(40)36-20-15-11-18(12-16-20)28(32,33)34/h1-16H,(H2,35,37,39)(H2,36,38,40)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129801 (CHEMBL3629549) Show SMILES Clc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H20Cl2N4S4/c27-17-9-13-19(14-10-17)29-25(33)31-21-5-1-3-7-23(21)35-36-24-8-4-2-6-22(24)32-26(34)30-20-15-11-18(28)12-16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50277802 (CHEMBL4172107) Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cccc2ncccc12 Show InChI InChI=1S/C15H10Cl2N2O3S/c16-9-7-11(17)15(20)14(8-9)23(21,22)19-13-5-1-4-12-10(13)3-2-6-18-12/h1-8,19-20H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats				Eur J Med Chem 139: 849-864 (2017) Article DOI: 10.1016/j.ejmech.2017.08.052 BindingDB Entry DOI: 10.7270/Q20P12HF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM60592 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-(trifluor...) Show SMILES FC(F)(F)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C22H15F3N4OS2/c23-22(24,25)15-9-11-16(12-10-15)26-21(31)29-28-19(30)13-5-7-14(8-6-13)20-27-17-3-1-2-4-18(17)32-20/h1-12H,(H,28,30)(H2,26,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50008884 (CHEMBL3237329) Show SMILES Oc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c(O)c1 Show InChI InChI=1S/C23H16Br2N2O2/c24-12-1-5-20-16(7-12)18(10-26-20)23(15-4-3-14(28)9-22(15)29)19-11-27-21-6-2-13(25)8-17(19)21/h1-11,23,26-29H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry				Bioorg Med Chem Lett 24: 1825-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.015 BindingDB Entry DOI: 10.7270/Q2R78GRJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129804 (CHEMBL3629546) Show SMILES COc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1OC Show InChI InChI=1S/C28H26N4O2S4/c1-33-23-15-7-3-11-19(23)29-27(35)31-21-13-5-9-17-25(21)37-38-26-18-10-6-14-22(26)32-28(36)30-20-12-4-8-16-24(20)34-2/h3-18H,1-2H3,(H2,29,31,35)(H2,30,32,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173607 ((Z)-2-((Z)-(Napthalen-1-ylmethylene)hydrazono)thia...) Show SMILES COc1cc(\C=N/N=C2\NC(=O)CS2)c(OC)cc1Br Show InChI InChI=1S/C12H12BrN3O3S/c1-18-9-4-8(13)10(19-2)3-7(9)5-14-16-12-15-11(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)/b14-5-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50019285 (CHEMBL3289122) Show SMILES COc1ccc(O)c(c1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C15H12N2O3/c1-20-9-6-7-13(18)11(8-9)14-16-12-5-3-2-4-10(12)15(19)17-14/h2-8,18H,1H3,(H,16,17,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...				Eur J Med Chem 139: 849-864 (2017) Article DOI: 10.1016/j.ejmech.2017.08.052 BindingDB Entry DOI: 10.7270/Q20P12HF
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50008901 (CHEMBL2430239) Show SMILES Oc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C23H16Br2N2O/c24-14-3-7-21-17(9-14)19(11-26-21)23(13-1-5-16(28)6-2-13)20-12-27-22-8-4-15(25)10-18(20)22/h1-12,23,26-28H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry				Bioorg Med Chem Lett 24: 1825-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.015 BindingDB Entry DOI: 10.7270/Q2R78GRJ
					More data for this Ligand-Target Pair
Probable maltase-glucoamylase 2 (Homo sapiens)	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111677 BindingDB Entry DOI: 10.7270/Q2KH0RSG
					More data for this Ligand-Target Pair
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50528910 (CHEMBL4472850) Show SMILES Cc1cc2nnn(CC(=O)c3ccc(Cl)c(Cl)c3)c2cc1C Show InChI InChI=1S/C16H13Cl2N3O/c1-9-5-14-15(6-10(9)2)21(20-19-14)8-16(22)11-3-4-12(17)13(18)7-11/h3-7H,8H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111677 BindingDB Entry DOI: 10.7270/Q2KH0RSG
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50277979 (CHEMBL4167683) Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cccc2ncccc12 Show InChI InChI=1S/C15H10Cl2N2O2S/c16-10-6-7-15(12(17)9-10)22(20,21)19-14-5-1-4-13-11(14)3-2-8-18-13/h1-9,19H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...				Eur J Med Chem 139: 849-864 (2017) Article DOI: 10.1016/j.ejmech.2017.08.052 BindingDB Entry DOI: 10.7270/Q20P12HF
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Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181090 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(3,4-dichlor...) Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1Cl Show InChI InChI=1S/C21H14Cl2N4OS2/c22-15-10-9-14(11-16(15)23)24-21(29)27-26-19(28)12-5-7-13(8-6-12)20-25-17-3-1-2-4-18(17)30-20/h1-11H,(H,26,28)(H2,24,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50233856 (CHEMBL4092265) Show SMILES Cc1ncc(n1CCOC(=O)c1cc2ccccc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C15H14N4O4/c1-10-16-9-14(19(21)22)18(10)6-7-23-15(20)13-8-11-4-2-3-5-12(11)17-13/h2-5,8-9,17H,6-7H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addi...				Eur J Med Chem 125: 1289-1299 (2017) Article DOI: 10.1016/j.ejmech.2016.11.031 BindingDB Entry DOI: 10.7270/Q2125VXZ
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM50092444 (CHEMBL3586121) Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1O Show InChI InChI=1S/C23H18N4O2/c1-13-11-18-19(12-14(13)2)25-21(24-18)15-7-9-16(10-8-15)22-26-27-23(29-22)17-5-3-4-6-20(17)28/h3-12,28H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA Curated by ChEMBL					Assay Description Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...				Bioorg Med Chem 23: 3119-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.081 BindingDB Entry DOI: 10.7270/Q2NZ89CV
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50092444 (CHEMBL3586121) Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1O Show InChI InChI=1S/C23H18N4O2/c1-13-11-18-19(12-14(13)2)25-21(24-18)15-7-9-16(10-8-15)22-26-27-23(29-22)17-5-3-4-6-20(17)28/h3-12,28H,1-2H3,(H,24,25)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50160569 (CHEMBL3785671) Show SMILES Clc1ccc(Nc2nnc(s2)-c2ccccc2Cl)cc1Cl Show InChI InChI=1S/C14H8Cl3N3S/c15-10-4-2-1-3-9(10)13-19-20-14(21-13)18-8-5-6-11(16)12(17)7-8/h1-7H,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM152497 ((E)-N'-(6-Bromo-2-oxoindolin-3-ylidene)-2-(2,4...) Show SMILES Clc1ccc(CC(=O)N\N=C2\C(=O)Nc3cc(Br)ccc23)c(Cl)c1 Show InChI InChI=1S/C16H10BrCl2N3O2/c17-9-2-4-11-13(6-9)20-16(24)15(11)22-21-14(23)5-8-1-3-10(18)7-12(8)19/h1-4,6-7H,5H2,(H,21,23)(H,20,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hazara University					Assay Description 10 µL of test samples (5 mg/mL DMSO solution) were reconstituted in 100 µL of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...				Bioorg Chem 60: 42-8 (2015) Article DOI: 10.1016/j.bioorg.2015.03.005 BindingDB Entry DOI: 10.7270/Q2DR2T7R
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM193670 (N,N'-(disulfanediylbis(2,1-phenylene))bis(2,4,...) Show SMILES Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl Show InChI InChI=1S/C24H14Cl6N2O4S4/c25-13-9-17(29)23(11-15(13)27)39(33,34)31-19-5-1-3-7-21(19)37-38-22-8-4-2-6-20(22)32-40(35,36)24-12-16(28)14(26)10-18(24)30/h1-12,31-32H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA					Assay Description β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...				Bioorg Chem 68: 15-22 (2016) Article DOI: 10.1016/j.bioorg.2016.07.002 BindingDB Entry DOI: 10.7270/Q2542MCP
					More data for this Ligand-Target Pair

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