Compile Data Set for Download or QSAR

Found 1178 hits with Last Name = 'khan' and Initial = 'km'   

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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50237977 (CHEMBL3310952) Show SMILES Oc1ccc(\C=N\NC(=O)c2ccncc2)cc1O Show InChI InChI=1S/C13H11N3O3/c17-11-2-1-9(7-12(11)18)8-15-16-13(19)10-3-5-14-6-4-10/h1-8,17-18H,(H,16,19)/b15-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Competitive inhibition of bovine xanthine oxidase using varying levels of xanthine as substrate preincubated for 10 mins followed by substrate additi...				Bioorg Med Chem 25: 2351-2371 (2017) Article DOI: 10.1016/j.bmc.2017.02.044 BindingDB Entry DOI: 10.7270/Q2C82CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222435 (N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...) Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222429 (N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222428 (N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222431 (N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...) Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222430 (N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1 Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246417 (US9447057, 1) Show SMILES C1C=Cc2ccc3cc(\C=N\c4nc(cs4)-c4ccccc4)cc4CC=C1c2c34 |c:1,t:27| Show InChI InChI=1S/C26H18N2S/c1-2-5-18(6-3-1)23-16-29-26(28-23)27-15-17-13-21-11-9-19-7-4-8-20-10-12-22(14-17)25(21)24(19)20/h1-7,9-11,13-16H,8,12H2/b27-15+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.82E+3	n/a	2.80E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222433 (N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...) Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50237969 (CHEMBL4059808) Show SMILES Oc1ccc(\C=N\NC(=O)c2cccnc2)cc1O Show InChI InChI=1S/C13H11N3O3/c17-11-4-3-9(6-12(11)18)7-15-16-13(19)10-2-1-5-14-8-10/h1-8,17-18H,(H,16,19)/b15-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Competitive inhibition of bovine xanthine oxidase using varying levels of xanthine as substrate preincubated for 10 mins followed by substrate additi...				Bioorg Med Chem 25: 2351-2371 (2017) Article DOI: 10.1016/j.bmc.2017.02.044 BindingDB Entry DOI: 10.7270/Q2C82CKQ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246422 (US9447057, 8) Show SMILES Oc1ccc(Cl)cc1\C=N\c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H11ClN2OS/c17-13-6-7-15(20)12(8-13)9-18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-10,20H/b18-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.89E+3	n/a	8.13E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246420 (US9447057, 6) Show SMILES COc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O Show InChI InChI=1S/C17H14N2O2S/c1-21-15-9-5-8-13(16(15)20)10-18-17-19-14(11-22-17)12-6-3-2-4-7-12/h2-11,20H,1H3/b18-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.22E+3	n/a	8.80E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448175 (CHEMBL3120552) Show SMILES S=C(Nc1ccccc1)Nc1cccnc1 Show InChI InChI=1S/C12H11N3S/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246418 (US9447057, 4) Show SMILES CCOc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C18H16N2OS/c1-2-21-16-10-8-14(9-11-16)12-19-18-20-17(13-22-18)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.23E+3	n/a	1.12E+4	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246442 (US9447057, 2) Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1c[nH]c2ccccc12 Show InChI InChI=1S/C18H13N3S/c1-2-6-13(7-3-1)17-12-22-18(21-17)20-11-14-10-19-16-9-5-4-8-15(14)16/h1-12,19H/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.60E+3	n/a	8.56E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246443 (US9447057, 3) Show SMILES CCOc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O Show InChI InChI=1S/C18H16N2O2S/c1-2-22-16-10-6-9-14(17(16)21)11-19-18-20-15(12-23-18)13-7-4-3-5-8-13/h3-12,21H,2H2,1H3/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.70E+3	n/a	7.90E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448176 (CHEMBL3120570) Show SMILES Clc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C13H9Cl3N2S/c14-8-2-1-3-9(6-8)17-13(19)18-10-4-5-11(15)12(16)7-10/h1-7H,(H2,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246421 (US9447057, 7) Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1ccc2ccccc2c1 Show InChI InChI=1S/C20H14N2S/c1-2-7-17(8-3-1)19-14-23-20(22-19)21-13-15-10-11-16-6-4-5-9-18(16)12-15/h1-14H/b21-13+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.19E+4	n/a	9.33E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448174 (CHEMBL3120548) Show SMILES Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C14H13ClN2S/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-2-3-11(15)9-13/h2-9H,1H3,(H2,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Non-competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot ana...				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246423 (US9447057, 9) Show SMILES CC(C)c1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C19H18N2S/c1-14(2)16-10-8-15(9-11-16)12-20-19-21-18(13-22-19)17-6-4-3-5-7-17/h3-14H,1-2H3/b20-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.24E+4	n/a	1.45E+4	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246419 (US9447057, 5) Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1ccncc1 Show InChI InChI=1S/C15H11N3S/c1-2-4-13(5-3-1)14-11-19-15(18-14)17-10-12-6-8-16-9-7-12/h1-11H/b17-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.36E+4	n/a	7.60E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
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))	BDBM246424 (US9447057, 10) Show SMILES Cc1ccc(\C=N\c2nc(cs2)-c2ccccc2)o1 Show InChI InChI=1S/C15H12N2OS/c1-11-7-8-13(18-11)9-16-15-17-14(10-19-15)12-5-3-2-4-6-12/h2-10H,1H3/b16-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.48E+4	n/a	1.78E+4	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50237973 (CHEMBL200555) Show SMILES COc1cccc(\C=N\NC(=O)c2ccncc2)c1O Show InChI InChI=1S/C14H13N3O3/c1-20-12-4-2-3-11(13(12)18)9-16-17-14(19)10-5-7-15-8-6-10/h2-9,18H,1H3,(H,17,19)/b16-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Competitive inhibition of bovine xanthine oxidase using varying levels of xanthine as substrate preincubated for 10 mins followed by substrate additi...				Bioorg Med Chem 25: 2351-2371 (2017) Article DOI: 10.1016/j.bmc.2017.02.044 BindingDB Entry DOI: 10.7270/Q2C82CKQ
					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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50237975 (CHEMBL4098314) Show SMILES Oc1cc(O)c(\C=N\NC(=O)c2ccncc2)c(O)c1 Show InChI InChI=1S/C13H11N3O4/c17-9-5-11(18)10(12(19)6-9)7-15-16-13(20)8-1-3-14-4-2-8/h1-7,17-19H,(H,16,20)/b15-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Competitive inhibition of bovine xanthine oxidase using varying levels of xanthine as substrate preincubated for 10 mins followed by substrate additi...				Bioorg Med Chem 25: 2351-2371 (2017) Article DOI: 10.1016/j.bmc.2017.02.044 BindingDB Entry DOI: 10.7270/Q2C82CKQ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448177 (CHEMBL1576403) Show SMILES Brc1cccc(NC(=S)Nc2ccccc2)c1 Show InChI InChI=1S/C13H11BrN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448178 (CHEMBL3120574) Show SMILES Cc1cccc(NC(=S)Nc2cccc(Cl)c2)c1 Show InChI InChI=1S/C14H13ClN2S/c1-10-4-2-6-12(8-10)16-14(18)17-13-7-3-5-11(15)9-13/h2-9H,1H3,(H2,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					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))	BDBM50448179 (CHEMBL1544729) Show SMILES Fc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C13H10ClFN2S/c14-9-2-1-3-12(8-9)17-13(18)16-11-6-4-10(15)5-7-11/h1-8H,(H2,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					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))	BDBM50448184 (CHEMBL3120558) Show SMILES Clc1cccc(NC(=S)Nc2cccc(Cl)c2)c1 Show InChI InChI=1S/C13H10Cl2N2S/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448182 (CHEMBL3120560) Show SMILES Clc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C13H10Cl2N2S/c14-9-4-6-11(7-5-9)16-13(18)17-12-3-1-2-10(15)8-12/h1-8H,(H2,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448180 (CHEMBL3120571) Show SMILES Cc1ccc(Cl)cc1NC(=S)Nc1cccc(Cl)c1 Show InChI InChI=1S/C14H12Cl2N2S/c1-9-5-6-11(16)8-13(9)18-14(19)17-12-4-2-3-10(15)7-12/h2-8H,1H3,(H2,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448185 (CHEMBL3120566) Show SMILES Cc1ccc(C)c(NC(=S)Nc2cccc(Cl)c2)c1 Show InChI InChI=1S/C15H15ClN2S/c1-10-6-7-11(2)14(8-10)18-15(19)17-13-5-3-4-12(16)9-13/h3-9H,1-2H3,(H2,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					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))	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	US Patent	2.00E+4	n/a	2.10E+4	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					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	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					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
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50018905 (2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12| Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15...				Eur J Med Chem 95: 199-209 (2015) Article DOI: 10.1016/j.ejmech.2015.03.018 BindingDB Entry DOI: 10.7270/Q2K075Z5
					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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50237974 (CHEMBL4081809) Show SMILES CCOc1cccc(\C=N\NC(=O)c2ccncc2)c1O Show InChI InChI=1S/C15H15N3O3/c1-2-21-13-5-3-4-12(14(13)19)10-17-18-15(20)11-6-8-16-9-7-11/h3-10,19H,2H2,1H3,(H,18,20)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Agonistic activity measures the ability to induce alkaline phosphatase in T47D human breast cancer cell line				Bioorg Med Chem 25: 2351-2371 (2017) Article DOI: 10.1016/j.bmc.2017.02.044 BindingDB Entry DOI: 10.7270/Q2C82CKQ
					More data for this Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type (Homo sapiens (Human))	BDBM86010 (Chalcone, 10) Show SMILES Oc1ccc(Cl)cc1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C15H11ClO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.76E+4	-24.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Quaid-i-Azam University					Assay Description In vitro lipoxygenase inhibition assay, lipoxygenase inhibiting activity was convenintly measured by slightly modifying the spectrometic method devel...				J Enzyme Inhib Med Chem 20: 41-7 (2005) Article DOI: 10.1080/14756360400015231 BindingDB Entry DOI: 10.7270/Q2FX781C
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50074020 (CHEMBL1099206) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)OCC |c:5,10| Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-7-9-14(10-8-13)21(24)25/h7-10,17,20H,5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15 min...				Eur J Med Chem 95: 199-209 (2015) Article DOI: 10.1016/j.ejmech.2015.03.018 BindingDB Entry DOI: 10.7270/Q2K075Z5
					More data for this Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type (Homo sapiens (Human))	BDBM86012 (Chalcone, 11) Show SMILES Oc1ccc(Cl)cc1C(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C15H10Cl2O2/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,19H/b7-3+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.17E+4	-23.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Quaid-i-Azam University					Assay Description In vitro lipoxygenase inhibition assay, lipoxygenase inhibiting activity was convenintly measured by slightly modifying the spectrometic method devel...				J Enzyme Inhib Med Chem 20: 41-7 (2005) Article DOI: 10.1080/14756360400015231 BindingDB Entry DOI: 10.7270/Q2FX781C
					More data for this Ligand-Target Pair

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