Compile Data Set for Download or QSAR

Found 62 hits of ic50 for UniProtKB: P07374   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152597 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-nitrophenyl...) Show SMILES CC(=NNC(=S)Nc1cccc(c1)[N+]([O-])=O)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14N4O3S/c1-11(16-9-12-5-2-3-8-15(12)24-16)19-20-17(25)18-13-6-4-7-14(10-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152587 (2-(1-(Benzofuran-2-yl)ethylidene)-N-phenylhydrazin...) Show SMILES CC(=NNC(=S)Nc1ccccc1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H15N3OS/c1-12(16-11-13-7-5-6-10-15(13)21-16)19-20-17(22)18-14-8-3-2-4-9-14/h2-11H,1H3,(H2,18,20,22)/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152600 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-methoxyphen...) Show SMILES COc1cccc(NC(=S)NN=C(C)c2cc3ccccc3o2)c1 |w:11.10| Show InChI InChI=1S/C18H17N3O2S/c1-12(17-10-13-6-3-4-9-16(13)23-17)20-21-18(24)19-14-7-5-8-15(11-14)22-2/h3-11H,1-2H3,(H2,19,21,24)/b20-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110170 (Ethyl 4-[3-(3,4-dimethoxybenzoyl)thioureido]benzoa...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1 Show InChI InChI=1S/C19H20N2O5S/c1-4-26-18(23)12-5-8-14(9-6-12)20-19(27)21-17(22)13-7-10-15(24-2)16(11-13)25-3/h5-11H,4H2,1-3H3,(H2,20,21,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152591 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1ccc(F)cc1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-10-12-4-2-3-5-15(12)22-16)20-21-17(23)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152598 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-nitrophenyl...) Show SMILES CC(=NNC(=S)Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14N4O3S/c1-11(16-10-12-4-2-3-5-15(12)24-16)19-20-17(25)18-13-6-8-14(9-7-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110169 (Ethyl 4-[3-(4-methoxybenzoyl)thioureido]benzoate (...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-3-24-17(22)13-4-8-14(9-5-13)19-18(25)20-16(21)12-6-10-15(23-2)11-7-12/h4-11H,3H2,1-2H3,(H2,19,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110165 (Ethyl 4-[3-(3-chlorobenzoyl)thioureido]benzoate (1...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C17H15ClN2O3S/c1-2-23-16(22)11-6-8-14(9-7-11)19-17(24)20-15(21)12-4-3-5-13(18)10-12/h3-10H,2H2,1H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110166 (Ethyl 4-[3-(2,4-dichlorobenzoyl)thioureido]benzoat...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C17H14Cl2N2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)13-8-5-11(18)9-14(13)19/h3-9H,2H2,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM57806 (1-[1-(1-benzofuran-2-yl)ethylideneamino]-3-(3-meth...) Show SMILES CC(=NNC(=S)Nc1cccc(C)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C18H17N3OS/c1-12-6-5-8-15(10-12)19-18(23)21-20-13(2)17-11-14-7-3-4-9-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152602 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-methylpheny...) Show SMILES CC(=NNC(=S)Nc1ccccc1C)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C18H17N3OS/c1-12-7-3-5-9-15(12)19-18(23)21-20-13(2)17-11-14-8-4-6-10-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)/b20-13+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152593 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1ccccc1F)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-10-12-6-2-5-9-15(12)22-16)20-21-17(23)19-14-8-4-3-7-13(14)18/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	321	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110171 (Ethyl 4-[3-(2-bromobenzoyl)thioureido]benzoate (1h...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H15BrN2O3S/c1-2-23-16(22)11-7-9-12(10-8-11)19-17(24)20-15(21)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152594 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,4-difluorop...) Show SMILES CC(=NNC(=S)Nc1ccc(F)cc1F)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13F2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-7-6-12(18)9-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110172 (Ethyl 4-[3-(3-methoxybenzoyl)thioureido]benzoate (...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-3-24-17(22)12-8-10-13(11-9-12)19-18(25)20-16(21)14-6-4-5-7-15(14)23-2/h4-11H,3H2,1-2H3,(H2,19,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110164 (Ethyl 4-(3-benzoylthioureido) benzoate (1a)) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-22-16(21)13-8-10-14(11-9-13)18-17(23)19-15(20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,18,19,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152596 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-bromophenyl...) Show SMILES CC(=NNC(=S)Nc1ccccc1Br)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14BrN3OS/c1-11(16-10-12-6-2-5-9-15(12)22-16)20-21-17(23)19-14-8-4-3-7-13(14)18/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	564	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152761 ([(E)-[2-(furan-2-yl)ethylidene]amino]thiourea (3f)) Show SMILES NC(=S)N\N=C\Cc1ccco1 Show InChI InChI=1S/C7H9N3OS/c8-7(12)10-9-4-3-6-2-1-5-11-6/h1-2,4-5H,3H2,(H3,8,10,12)/b9-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152589 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,4-dichlorop...) Show SMILES CC(=NNC(=S)Nc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13Cl2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-7-6-12(18)9-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	592	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110167 (Ethyl 4-[3-(4-methylbenzoyl)thioureido]benzoate (1...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C18H18N2O3S/c1-3-23-17(22)14-8-10-15(11-9-14)19-18(24)20-16(21)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152603 (N-Allyl-2-(1-(benzofuran-2-yl)ethylidene)hydrazine...) Show SMILES CC(=NNC(=S)NCC=C)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C14H15N3OS/c1-3-8-15-14(19)17-16-10(2)13-9-11-6-4-5-7-12(11)18-13/h3-7,9H,1,8H2,2H3,(H2,15,17,19)/b16-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	694	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110173 (Ethyl 4-[3-(2-fluorobenzoyl)thioureido]benzoate (1...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C17H15FN2O3S/c1-2-23-16(22)11-7-9-12(10-8-11)19-17(24)20-15(21)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110168 (Ethyl 4-[3-(3-methylbenzoyl)thioureido]benzoate (1...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 Show InChI InChI=1S/C18H18N2O3S/c1-3-23-17(22)13-7-9-15(10-8-13)19-18(24)20-16(21)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152588 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-chloropheny...) Show SMILES CC(=NNC(=S)Nc1cccc(Cl)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14ClN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152592 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1cccc(F)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152590 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,5-dichlorop...) Show SMILES CC(=NNC(=S)Nc1cc(Cl)ccc1Cl)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13Cl2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-9-12(18)6-7-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152757 ([(E)-[2-(pyridin-3-yl)ethylidene]amino]thiourea (3...) Show SMILES NC(=S)N\N=C\Cc1cccnc1 Show InChI InChI=1S/C8H10N4S/c9-8(13)12-11-5-3-7-2-1-4-10-6-7/h1-2,4-6H,3H2,(H3,9,12,13)/b11-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152599 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-methoxyphen...) Show SMILES COc1ccc(NC(=S)NN=C(C)c2cc3ccccc3o2)cc1 |w:10.9| Show InChI InChI=1S/C18H17N3O2S/c1-12(17-11-13-5-3-4-6-16(13)23-17)20-21-18(24)19-14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H2,19,21,24)/b20-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152756 ([(E)-[2-(pyridin-2-yl)ethylidene]amino]thiourea (3...) Show SMILES NC(=S)N\N=C\Cc1ccccn1 Show InChI InChI=1S/C8H10N4S/c9-8(13)12-11-6-4-7-3-1-2-5-10-7/h1-3,5-6H,4H2,(H3,9,12,13)/b11-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152762 ([(E)-[2-(5-methylfuran-2-yl)ethylidene]amino]thiou...) Show SMILES Cc1ccc(C\C=N\NC(N)=S)o1 Show InChI InChI=1S/C8H11N3OS/c1-6-2-3-7(12-6)4-5-10-11-8(9)13/h2-3,5H,4H2,1H3,(H3,9,11,13)/b10-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM114552 (1-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(4-...) Show SMILES CC(=NNC(=S)Nc1ccc(C)cc1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C18H17N3OS/c1-12-7-9-15(10-8-12)19-18(23)21-20-13(2)17-11-14-5-3-4-6-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152766 ([(E)-{2-[4-(benzyloxy)phenyl]ethylidene}amino]thio...) Show SMILES NC(=S)N\N=C\Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H17N3OS/c17-16(21)19-18-11-10-13-6-8-15(9-7-13)20-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H3,17,19,21)/b18-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152765 ([(E)-(2-phenylethylidene)amino]thiourea (3j)) Show SMILES NC(=S)N\N=C\Cc1ccccc1 Show InChI InChI=1S/C9H11N3S/c10-9(13)12-11-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,10,12,13)/b11-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152768 ([(E)-[2-(pyren-1-yl)ethylidene]amino]thiourea (3m)) Show SMILES NC(=S)N\N=C\Cc1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C19H15N3S/c20-19(23)22-21-11-10-12-4-5-15-7-6-13-2-1-3-14-8-9-16(12)18(15)17(13)14/h1-9,11H,10H2,(H3,20,22,23)/b21-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.84E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123737 (2-(4-Nitrophenyl)amino-5-(1-(4-bromophenoxy)propyl...) Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(cc2)[N+]([O-])=O)o1 Show InChI InChI=1S/C17H15BrN4O4/c1-2-15(25-14-9-3-11(18)4-10-14)16-20-21-17(26-16)19-12-5-7-13(8-6-12)22(23)24/h3-10,15H,2H2,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123723 (2-(4-Fluorophenyl)amino-5-(1-(4-bromophenoxy)ethyl...) Show SMILES CC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C16H13BrFN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.21E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123736 (2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)prop...) Show SMILES CCC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C18H18FN3O2/c1-3-16(23-15-10-4-12(2)5-11-15)17-21-22-18(24-17)20-14-8-6-13(19)7-9-14/h4-11,16H,3H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.42E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123734 (2-(4-Fluorophenyl)amino-5-(1-(4-bromophenoxy)propy...) Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C17H15BrFN3O2/c1-2-15(23-14-9-3-11(18)4-10-14)16-21-22-17(24-16)20-13-7-5-12(19)6-8-13/h3-10,15H,2H2,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.65E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123735 (2-(4-Fluorophenyl)amino-5-(1-(3,4-dichlorophenoxy)...) Show SMILES CCC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C17H14Cl2FN3O2/c1-2-15(24-12-7-8-13(18)14(19)9-12)16-22-23-17(25-16)21-11-5-3-10(20)4-6-11/h3-9,15H,2H2,1H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.02E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123719 (2-(4-Methylphenyl)amino-5-(1-(4-methylphenoxy)ethy...) Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C18H19N3O2/c1-12-4-8-15(9-5-12)19-18-21-20-17(23-18)14(3)22-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.82E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152595 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-bromophenyl...) Show SMILES CC(=NNC(=S)Nc1cccc(Br)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14BrN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123730 (2-(4-Chlorophenyl)amino-5-(1-(4-methylphenoxy)ethy...) Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C17H16ClN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123727 (2-(4-Chlorophenyl)amino-5-(1-(4-bromophenoxy)ethyl...) Show SMILES CC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H13BrClN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123726 (2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)ethy...) Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C17H16FN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110174 ((2-chlorophenyl)thiourea | Thiourea) Show SMILES NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack 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	2.10E+4	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110174 ((2-chlorophenyl)thiourea | Thiourea) Show SMILES NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE 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	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152601 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-methoxyphen...) Show SMILES COc1ccccc1NC(=S)NN=C(C)c1cc2ccccc2o1 |w:12.12| Show InChI InChI=1S/C18H17N3O2S/c1-12(17-11-13-7-3-5-9-15(13)23-17)20-21-18(24)19-14-8-4-6-10-16(14)22-2/h3-11H,1-2H3,(H2,19,21,24)/b20-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123717 (2-(4-Methylphenyl)amino-5-(1-(4-chlorophenoxy)ethy...) Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C17H16ClN3O2/c1-11-3-7-14(8-4-11)19-17-21-20-16(23-17)12(2)22-15-9-5-13(18)6-10-15/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123728 (2-(4-Chlorophenyl)amino-5-(1-(4-chlorophenoxy)ethy...) Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H13Cl2N3O2/c1-10(22-14-8-4-12(18)5-9-14)15-20-21-16(23-15)19-13-6-2-11(17)3-7-13/h2-10H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair

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