Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'suhas' and Initial = 'r'   

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
Albumin (Bos taurus)	BDBM50425942 (CHEMBL2313740) Show SMILES COc1ccc(NC(=S)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C22H23FN4O3S/c1-29-17-5-3-16(4-6-17)25-22(31)24-13-20(28)27-10-8-14(9-11-27)21-18-7-2-15(23)12-19(18)30-26-21/h2-7,12,14H,8-11,13H2,1H3,(H2,24,25,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425923 (CHEMBL2313709) Show SMILES COc1ccc(NC(=S)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C25H27FN4O3S/c1-32-19-7-5-18(6-8-19)27-25(34)30-12-2-3-21(30)24(31)29-13-10-16(11-14-29)23-20-9-4-17(26)15-22(20)33-28-23/h4-9,15-16,21H,2-3,10-14H2,1H3,(H,27,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425946 (CHEMBL2313736) Show SMILES COc1ccccc1NC(=S)NCC(=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C22H23FN4O3S/c1-29-18-5-3-2-4-17(18)25-22(31)24-13-20(28)27-10-8-14(9-11-27)21-16-7-6-15(23)12-19(16)30-26-21/h2-7,12,14H,8-11,13H2,1H3,(H2,24,25,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425911 (CHEMBL2313700) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1cccc(Br)c1 Show InChI InChI=1S/C24H24BrFN4O2S/c25-16-3-1-4-18(13-16)27-24(33)30-10-2-5-20(30)23(31)29-11-8-15(9-12-29)22-19-7-6-17(26)14-21(19)32-28-22/h1,3-4,6-7,13-15,20H,2,5,8-12H2,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425932 (CHEMBL2313729) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1cccc(Br)c1 Show InChI InChI=1S/C21H20BrFN4O2S/c22-14-2-1-3-16(10-14)25-21(30)24-12-19(28)27-8-6-13(7-9-27)20-17-5-4-15(23)11-18(17)29-26-20/h1-5,10-11,13H,6-9,12H2,(H2,24,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425927 (CHEMBL2313705) Show SMILES COc1ccccc1NC(=S)N1CCCC1C(=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C25H27FN4O3S/c1-32-21-7-3-2-5-19(21)27-25(34)30-12-4-6-20(30)24(31)29-13-10-16(11-14-29)23-18-9-8-17(26)15-22(18)33-28-23/h2-3,5,7-9,15-16,20H,4,6,10-14H2,1H3,(H,27,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425934 (CHEMBL2313727) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1ccccc1Br Show InChI InChI=1S/C21H20BrFN4O2S/c22-16-3-1-2-4-17(16)25-21(30)24-12-19(28)27-9-7-13(8-10-27)20-15-6-5-14(23)11-18(15)29-26-20/h1-6,11,13H,7-10,12H2,(H2,24,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425910 (CHEMBL2313701) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C24H24BrFN4O3/c25-16-3-6-18(7-4-16)27-24(32)30-11-1-2-20(30)23(31)29-12-9-15(10-13-29)22-19-8-5-17(26)14-21(19)33-28-22/h3-8,14-15,20H,1-2,9-13H2,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425912 (CHEMBL2313699) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1cccc(Br)c1 Show InChI InChI=1S/C24H24BrFN4O3/c25-16-3-1-4-18(13-16)27-24(32)30-10-2-5-20(30)23(31)29-11-8-15(9-12-29)22-19-7-6-17(26)14-21(19)33-28-22/h1,3-4,6-7,13-15,20H,2,5,8-12H2,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425921 (CHEMBL2313711) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccccc1F Show InChI InChI=1S/C24H24F2N4O2S/c25-16-7-8-17-21(14-16)32-28-22(17)15-9-12-29(13-10-15)23(31)20-6-3-11-30(20)24(33)27-19-5-2-1-4-18(19)26/h1-2,4-5,7-8,14-15,20H,3,6,9-13H2,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425913 (CHEMBL2313698) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccccc1Br Show InChI InChI=1S/C24H24BrFN4O2S/c25-18-4-1-2-5-19(18)27-24(33)30-11-3-6-20(30)23(31)29-12-9-15(10-13-29)22-17-8-7-16(26)14-21(17)32-28-22/h1-2,4-5,7-8,14-15,20H,3,6,9-13H2,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425931 (CHEMBL2313730) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C21H20BrFN4O3/c22-14-1-4-16(5-2-14)25-21(29)24-12-19(28)27-9-7-13(8-10-27)20-17-6-3-15(23)11-18(17)30-26-20/h1-6,11,13H,7-10,12H2,(H2,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425940 (CHEMBL2313719) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1ccccc1F Show InChI InChI=1S/C21H20F2N4O2S/c22-14-5-6-15-18(11-14)29-26-20(15)13-7-9-27(10-8-13)19(28)12-24-21(30)25-17-4-2-1-3-16(17)23/h1-6,11,13H,7-10,12H2,(H2,24,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425933 (CHEMBL2313728) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1cccc(Br)c1 Show InChI InChI=1S/C21H20BrFN4O3/c22-14-2-1-3-16(10-14)25-21(29)24-12-19(28)27-8-6-13(7-9-27)20-17-5-4-15(23)11-18(17)30-26-20/h1-5,10-11,13H,6-9,12H2,(H2,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030454 (CHEMBL3344295) Show SMILES COc1ccc(NC(=S)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C42H51N9O6S2/c1-27(2)37(41(56)51-19-9-13-33(51)40(55)50-22-20-49(21-23-50)38-31-12-7-8-14-34(31)59-48-38)47-36(53)25-43-39(54)32(24-28-10-5-4-6-11-28)46-35(52)26-44-42(58)45-29-15-17-30(57-3)18-16-29/h4-8,10-12,14-18,27,32-33,37H,9,13,19-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,58)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425944 (CHEMBL2313738) Show SMILES COc1cccc(NC(=S)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1 Show InChI InChI=1S/C22H23FN4O3S/c1-29-17-4-2-3-16(12-17)25-22(31)24-13-20(28)27-9-7-14(8-10-27)21-18-6-5-15(23)11-19(18)30-26-21/h2-6,11-12,14H,7-10,13H2,1H3,(H2,24,25,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030453 (CHEMBL3344294) Show SMILES COc1ccc(NC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C42H51N9O7S/c1-27(2)37(41(56)51-19-9-13-33(51)40(55)50-22-20-49(21-23-50)38-31-12-7-8-14-34(31)59-48-38)47-36(53)25-43-39(54)32(24-28-10-5-4-6-11-28)46-35(52)26-44-42(57)45-29-15-17-30(58-3)18-16-29/h4-8,10-12,14-18,27,32-33,37H,9,13,19-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030450 (CHEMBL3344291) Show SMILES COc1ccccc1NC(=S)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C42H51N9O6S2/c1-27(2)37(41(56)51-19-11-16-32(51)40(55)50-22-20-49(21-23-50)38-29-14-7-10-18-34(29)59-48-38)47-36(53)25-43-39(54)31(24-28-12-5-4-6-13-28)45-35(52)26-44-42(58)46-30-15-8-9-17-33(30)57-3/h4-10,12-15,17-18,27,31-32,37H,11,16,19-26H2,1-3H3,(H,43,54)(H,45,52)(H,47,53)(H2,44,46,58)/t31-,32-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030402 (CHEMBL3344255) Show SMILES COc1ccc(NC(=S)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C38H51N9O6S2/c1-23(2)32(42-31(49)22-40-38(54)41-25-12-14-26(53-5)15-13-25)35(50)39-21-30(48)43-33(24(3)4)37(52)47-16-8-10-28(47)36(51)46-19-17-45(18-20-46)34-27-9-6-7-11-29(27)55-44-34/h6-7,9,11-15,23-24,28,32-33H,8,10,16-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,54)/t28-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030452 (CHEMBL3344293) Show SMILES COc1cccc(NC(=S)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)c1 |r| Show InChI InChI=1S/C42H51N9O6S2/c1-27(2)37(41(56)51-18-10-16-33(51)40(55)50-21-19-49(20-22-50)38-31-15-7-8-17-34(31)59-48-38)47-36(53)25-43-39(54)32(23-28-11-5-4-6-12-28)46-35(52)26-44-42(58)45-29-13-9-14-30(24-29)57-3/h4-9,11-15,17,24,27,32-33,37H,10,16,18-23,25-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,58)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425943 (CHEMBL2313739) Show SMILES COc1ccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C22H23FN4O4/c1-30-17-5-3-16(4-6-17)25-22(29)24-13-20(28)27-10-8-14(9-11-27)21-18-7-2-15(23)12-19(18)31-26-21/h2-7,12,14H,8-11,13H2,1H3,(H2,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030398 (CHEMBL3344251) Show SMILES COc1ccccc1NC(=S)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C38H51N9O6S2/c1-23(2)32(42-31(49)22-40-38(54)41-26-12-7-8-14-28(26)53-5)35(50)39-21-30(48)43-33(24(3)4)37(52)47-16-10-13-27(47)36(51)46-19-17-45(18-20-46)34-25-11-6-9-15-29(25)55-44-34/h6-9,11-12,14-15,23-24,27,32-33H,10,13,16-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,54)/t27-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425947 (CHEMBL2313735) Show SMILES COc1ccccc1NC(=O)NCC(=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C22H23FN4O4/c1-30-18-5-3-2-4-17(18)25-22(29)24-13-20(28)27-10-8-14(9-11-27)21-16-7-6-15(23)12-19(16)31-26-21/h2-7,12,14H,8-11,13H2,1H3,(H2,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425925 (CHEMBL2313707) Show SMILES COc1cccc(NC(=S)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1 Show InChI InChI=1S/C25H27FN4O3S/c1-32-19-5-2-4-18(15-19)27-25(34)30-11-3-6-21(30)24(31)29-12-9-16(10-13-29)23-20-8-7-17(26)14-22(20)33-28-23/h2,4-5,7-8,14-16,21H,3,6,9-13H2,1H3,(H,27,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030449 (CHEMBL3344290) Show SMILES COc1ccccc1NC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C42H51N9O7S/c1-27(2)37(41(56)51-19-11-16-32(51)40(55)50-22-20-49(21-23-50)38-29-14-7-10-18-34(29)59-48-38)47-36(53)25-43-39(54)31(24-28-12-5-4-6-13-28)45-35(52)26-44-42(57)46-30-15-8-9-17-33(30)58-3/h4-10,12-15,17-18,27,31-32,37H,11,16,19-26H2,1-3H3,(H,43,54)(H,45,52)(H,47,53)(H2,44,46,57)/t31-,32-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030401 (CHEMBL3344254) Show SMILES COc1ccc(NC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C38H51N9O7S/c1-23(2)32(42-31(49)22-40-38(53)41-25-12-14-26(54-5)15-13-25)35(50)39-21-30(48)43-33(24(3)4)37(52)47-16-8-10-28(47)36(51)46-19-17-45(18-20-46)34-27-9-6-7-11-29(27)55-44-34/h6-7,9,11-15,23-24,28,32-33H,8,10,16-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t28-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425945 (CHEMBL2313737) Show SMILES COc1cccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1 Show InChI InChI=1S/C22H23FN4O4/c1-30-17-4-2-3-16(12-17)25-22(29)24-13-20(28)27-9-7-14(8-10-27)21-18-6-5-15(23)11-19(18)31-26-21/h2-6,11-12,14H,7-10,13H2,1H3,(H2,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					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	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030397 (CHEMBL3344250) Show SMILES COc1ccccc1NC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C38H51N9O7S/c1-23(2)32(42-31(49)22-40-38(53)41-26-12-7-8-14-28(26)54-5)35(50)39-21-30(48)43-33(24(3)4)37(52)47-16-10-13-27(47)36(51)46-19-17-45(18-20-46)34-25-11-6-9-15-29(25)55-44-34/h6-9,11-12,14-15,23-24,27,32-33H,10,13,16-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425924 (CHEMBL2313708) Show SMILES COc1ccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C25H27FN4O4/c1-33-19-7-5-18(6-8-19)27-25(32)30-12-2-3-21(30)24(31)29-13-10-16(11-14-29)23-20-9-4-17(26)15-22(20)34-28-23/h4-9,15-16,21H,2-3,10-14H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030400 (CHEMBL3344253) Show SMILES COc1cccc(NC(=S)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)c1 |r| Show InChI InChI=1S/C38H51N9O6S2/c1-23(2)32(42-31(49)22-40-38(54)41-25-10-8-11-26(20-25)53-5)35(50)39-21-30(48)43-33(24(3)4)37(52)47-15-9-13-28(47)36(51)46-18-16-45(17-19-46)34-27-12-6-7-14-29(27)55-44-34/h6-8,10-12,14,20,23-24,28,32-33H,9,13,15-19,21-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,54)/t28-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030451 (CHEMBL3344292) Show SMILES COc1cccc(NC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)c1 |r| Show InChI InChI=1S/C42H51N9O7S/c1-27(2)37(41(56)51-18-10-16-33(51)40(55)50-21-19-49(20-22-50)38-31-15-7-8-17-34(31)59-48-38)47-36(53)25-43-39(54)32(23-28-11-5-4-6-12-28)46-35(52)26-44-42(57)45-29-13-9-14-30(24-29)58-3/h4-9,11-15,17,24,27,32-33,37H,10,16,18-23,25-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030399 (CHEMBL3344252) Show SMILES COc1cccc(NC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)c1 |r| Show InChI InChI=1S/C38H51N9O7S/c1-23(2)32(42-31(49)22-40-38(53)41-25-10-8-11-26(20-25)54-5)35(50)39-21-30(48)43-33(24(3)4)37(52)47-15-9-13-28(47)36(51)46-18-16-45(17-19-46)34-27-12-6-7-14-29(27)55-44-34/h6-8,10-12,14,20,23-24,28,32-33H,9,13,15-19,21-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t28-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425928 (CHEMBL2313704) Show SMILES COc1ccccc1NC(=O)N1CCCC1C(=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C25H27FN4O4/c1-33-21-7-3-2-5-19(21)27-25(32)30-12-4-6-20(30)24(31)29-13-10-16(11-14-29)23-18-9-8-17(26)15-22(18)34-28-23/h2-3,5,7-9,15-16,20H,4,6,10-14H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030447 (CHEMBL3344289) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=S)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O5S2/c1-26(2)36(40(56)51-18-8-12-32(51)39(55)50-21-19-49(20-22-50)37-30-11-6-7-13-33(30)58-48-37)47-35(53)24-43-38(54)31(23-27-9-4-3-5-10-27)46-34(52)25-44-41(57)45-29-16-14-28(42)15-17-29/h3-7,9-11,13-17,26,31-32,36H,8,12,18-25H2,1-2H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425926 (CHEMBL2313706) Show SMILES COc1cccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1 Show InChI InChI=1S/C25H27FN4O4/c1-33-19-5-2-4-18(15-19)27-25(32)30-11-3-6-21(30)24(31)29-12-9-16(10-13-29)23-20-8-7-17(26)14-22(20)34-28-23/h2,4-5,7-8,14-16,21H,3,6,9-13H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030396 (CHEMBL3344249) Show SMILES CC(C)[C@H](NC(=O)CNC(=S)Nc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O5S2/c1-22(2)31(42-30(49)21-40-37(53)41-25-13-11-24(38)12-14-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-7-9-27(47)35(51)46-18-16-45(17-19-46)33-26-8-5-6-10-28(26)54-44-33/h5-6,8,10-14,22-23,27,31-32H,7,9,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030428 (CHEMBL3344288) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O6S/c1-26(2)36(40(56)51-18-8-12-32(51)39(55)50-21-19-49(20-22-50)37-30-11-6-7-13-33(30)58-48-37)47-35(53)24-43-38(54)31(23-27-9-4-3-5-10-27)46-34(52)25-44-41(57)45-29-16-14-28(42)15-17-29/h3-7,9-11,13-17,26,31-32,36H,8,12,18-25H2,1-2H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030426 (CHEMBL3344259) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=S)Nc1ccccc1F)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O5S2/c1-26(2)36(40(56)51-18-10-16-32(51)39(55)50-21-19-49(20-22-50)37-28-13-6-9-17-33(28)58-48-37)47-35(53)24-43-38(54)31(23-27-11-4-3-5-12-27)45-34(52)25-44-41(57)46-30-15-8-7-14-29(30)42/h3-9,11-15,17,26,31-32,36H,10,16,18-25H2,1-2H3,(H,43,54)(H,45,52)(H,47,53)(H2,44,46,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030395 (CHEMBL3344248) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)Nc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O6S/c1-22(2)31(42-30(49)21-40-37(53)41-25-13-11-24(38)12-14-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-7-9-27(47)35(51)46-18-16-45(17-19-46)33-26-8-5-6-10-28(26)54-44-33/h5-6,8,10-14,22-23,27,31-32H,7,9,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030393 (CHEMBL3344246) Show SMILES CC(C)[C@H](NC(=O)CNC(=S)Nc1ccccc1F)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O5S2/c1-22(2)31(42-30(49)21-40-37(53)41-26-12-7-6-11-25(26)38)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-9-13-27(47)35(51)46-18-16-45(17-19-46)33-24-10-5-8-14-28(24)54-44-33/h5-8,10-12,14,22-23,27,31-32H,9,13,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030403 (CHEMBL3344245) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccccc1F)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O6S/c1-26(2)36(40(56)51-18-10-16-32(51)39(55)50-21-19-49(20-22-50)37-28-13-6-9-17-33(28)58-48-37)47-35(53)24-43-38(54)31(23-27-11-4-3-5-12-27)45-34(52)25-44-41(57)46-30-15-8-7-14-29(30)42/h3-9,11-15,17,26,31-32,36H,10,16,18-25H2,1-2H3,(H,43,54)(H,45,52)(H,47,53)(H2,44,46,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50217942 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...) Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030392 (CHEMBL3344258) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)Nc1ccccc1F)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O6S/c1-22(2)31(42-30(49)21-40-37(53)41-26-12-7-6-11-25(26)38)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-9-13-27(47)35(51)46-18-16-45(17-19-46)33-24-10-5-8-14-28(24)54-44-33/h5-8,10-12,14,22-23,27,31-32H,9,13,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030427 (CHEMBL3344260) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1cccc(F)c1)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O6S/c1-26(2)36(40(56)51-17-9-15-32(51)39(55)50-20-18-49(19-21-50)37-30-14-6-7-16-33(30)58-48-37)47-35(53)24-43-38(54)31(22-27-10-4-3-5-11-27)46-34(52)25-44-41(57)45-29-13-8-12-28(42)23-29/h3-8,10-14,16,23,26,31-32,36H,9,15,17-22,24-25H2,1-2H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030394 (CHEMBL3344247) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)Nc1cccc(F)c1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O6S/c1-22(2)31(42-30(49)21-40-37(53)41-25-10-7-9-24(38)19-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-14-8-12-27(47)35(51)46-17-15-45(16-18-46)33-26-11-5-6-13-28(26)54-44-33/h5-7,9-11,13,19,22-23,27,31-32H,8,12,14-18,20-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425922 (CHEMBL2313710) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccccc1F Show InChI InChI=1S/C24H24F2N4O3/c25-16-7-8-17-21(14-16)33-28-22(17)15-9-12-29(13-10-15)23(31)20-6-3-11-30(20)24(32)27-19-5-2-1-4-18(19)26/h1-2,4-5,7-8,14-15,20H,3,6,9-13H2,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425941 (CHEMBL2313718) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccccc1F Show InChI InChI=1S/C21H20F2N4O3/c22-14-5-6-15-18(11-14)30-26-20(15)13-7-9-27(10-8-13)19(28)12-24-21(29)25-17-4-2-1-3-16(17)23/h1-6,11,13H,7-10,12H2,(H2,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425914 (CHEMBL2313697) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H24ClFN4O2S/c25-16-3-6-18(7-4-16)27-24(33)30-11-1-2-20(30)23(31)29-12-9-15(10-13-29)22-19-8-5-17(26)14-21(19)32-28-22/h3-8,14-15,20H,1-2,9-13H2,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50425915 (CHEMBL2313717) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H24ClFN4O3/c25-16-3-6-18(7-4-16)27-24(32)30-11-1-2-20(30)23(31)29-12-9-15(10-13-29)22-19-8-5-17(26)14-21(19)33-28-22/h3-8,14-15,20H,1-2,9-13H2,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...				Eur J Med Chem 60: 325-32 (2013) Article DOI: 10.1016/j.ejmech.2012.12.029 BindingDB Entry DOI: 10.7270/Q2JQ1292
					More data for this Ligand-Target Pair

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