Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'uddin' 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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373142 (CHEMBL428787) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc5ccccc5c4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C26H28N4O2/c1-26(2,3)20-10-11-23-22(13-20)24(29-32-23)25(31)28-21-14-27-30(16-21)15-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,14,16,20H,10-11,13,15H2,1-3H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373146 (CHEMBL408197) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H26N4O2/c1-22(2,3)16-9-10-19-18(11-16)20(25-28-19)21(27)24-17-12-23-26(14-17)13-15-7-5-4-6-8-15/h4-8,12,14,16H,9-11,13H2,1-3H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373148 (CHEMBL412059) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 |w:20.25| Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373140 (CHEMBL261486) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H24F2N4O2/c1-22(2,3)14-5-7-19-17(8-14)20(27-30-19)21(29)26-16-10-25-28(12-16)11-13-4-6-15(23)9-18(13)24/h4,6,9-10,12,14H,5,7-8,11H2,1-3H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373136 (CHEMBL438202) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(=O)NCCc4ccccc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C31H35N5O3/c1-31(2,3)24-13-14-27-26(17-24)28(35-39-27)30(38)34-25-18-33-36(20-25)19-22-9-11-23(12-10-22)29(37)32-16-15-21-7-5-4-6-8-21/h4-12,18,20,24H,13-17,19H2,1-3H3,(H,32,37)(H,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373144 (CHEMBL258966) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H25ClN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373145 (CHEMBL409940) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4Br)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H25BrN4O2/c1-22(2,3)15-8-9-19-17(10-15)20(26-29-19)21(28)25-16-11-24-27(13-16)12-14-6-4-5-7-18(14)23/h4-7,11,13,15H,8-10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373147 (CHEMBL259507) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373143 (CHEMBL260779) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4I)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H25IN4O2/c1-22(2,3)15-8-9-19-17(10-15)20(26-29-19)21(28)25-16-11-24-27(13-16)12-14-6-4-5-7-18(14)23/h4-7,11,13,15H,8-10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373141 (CHEMBL261487) Show SMILES COC(=O)c1ccc(Cn2cc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)cn2)cc1 |w:21.25| Show InChI InChI=1S/C24H28N4O4/c1-24(2,3)17-9-10-20-19(11-17)21(27-32-20)22(29)26-18-12-25-28(14-18)13-15-5-7-16(8-6-15)23(30)31-4/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373137 (CHEMBL261734) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(=O)NCc4ccccc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)23-13-14-26-25(15-23)27(34-38-26)29(37)33-24-17-32-35(19-24)18-21-9-11-22(12-10-21)28(36)31-16-20-7-5-4-6-8-20/h4-12,17,19,23H,13-16,18H2,1-3H3,(H,31,36)(H,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373138 (CHEMBL410040) Show SMILES CC(C)(C)OC(=O)c1ccc(Cn2cc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)cn2)cc1 |w:24.28| Show InChI InChI=1S/C27H34N4O4/c1-26(2,3)19-11-12-22-21(13-19)23(30-35-22)24(32)29-20-14-28-31(16-20)15-17-7-9-18(10-8-17)25(33)34-27(4,5)6/h7-10,14,16,19H,11-13,15H2,1-6H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373139 (CHEMBL409299) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(O)=O)c3)c2C1 |w:4.3| Show InChI InChI=1S/C23H26N4O4/c1-23(2,3)16-8-9-19-18(10-16)20(26-31-19)21(28)25-17-11-24-27(13-17)12-14-4-6-15(7-5-14)22(29)30/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,25,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173607 ((Z)-2-((Z)-(Napthalen-1-ylmethylene)hydrazono)thia...) Show SMILES COc1cc(\C=N/N=C2\NC(=O)CS2)c(OC)cc1Br Show InChI InChI=1S/C12H12BrN3O3S/c1-18-9-4-8(13)10(19-2)3-7(9)5-14-16-12-15-11(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)/b14-5-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173602 ((Z)-2-((Z)-(1-(2-Bromo-4-nitrophenyl)ethylidene)hy...) Show SMILES C\C(=N\N=C1/NC(=O)CS1)c1ccc(cc1Br)[N+]([O-])=O Show InChI InChI=1S/C11H9BrN4O3S/c1-6(14-15-11-13-10(17)5-20-11)8-3-2-7(16(18)19)4-9(8)12/h2-4H,5H2,1H3,(H,13,15,17)/b14-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173604 ((Z)-2-((Z)-(4-Ethoxy-3-methoxybenzoylidine)hydrazo...) Show SMILES CCOc1ccc(\C=N/N=C2\NC(=O)CS2)cc1OC Show InChI InChI=1S/C13H15N3O3S/c1-3-19-10-5-4-9(6-11(10)18-2)7-14-16-13-15-12(17)8-20-13/h4-7H,3,8H2,1-2H3,(H,15,16,17)/b14-7-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373135 (CHEMBL446201) Show SMILES COc1ccc(Cc2noc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)c2C(N)=O)cc1 |w:20.24| Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)14-7-10-18-16(12-14)20(28-32-18)22(30)26-23-19(21(25)29)17(27-33-23)11-13-5-8-15(31-4)9-6-13/h5-6,8-9,14H,7,10-12H2,1-4H3,(H2,25,29)(H,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173597 ((E)-2-((E)-(4-(Benzyloxy)-2-methoxybenzylidene)hyd...) Show SMILES CN(C)c1ccc(\C=N\N=C2/NC(=O)CS2)cc1 Show InChI InChI=1S/C18H17N3O3S/c1-23-16-9-15(24-11-13-5-3-2-4-6-13)8-7-14(16)10-19-21-18-20-17(22)12-25-18/h2-10H,11-12H2,1H3,(H,20,21,22)/b19-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173595 ((E)-2((E)-(3-nitrobenzylidene)hydrazono)thiazolidi...) Show SMILES [O-][N+](=O)c1cccc(\C=N\N=C2/NC(=O)CS2)c1 Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-2-1-3-8(4-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.43E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM60584 ((Z)-2-((Z)-(Napthalen-1-ylmethylene)hydrazono)thia...) Show SMILES Oc1ccc(\C=N/N=C2\NC(=O)CS2)c(O)c1 Show InChI InChI=1S/C10H9N3O3S/c14-7-2-1-6(8(15)3-7)4-11-13-10-12-9(16)5-17-10/h1-4,14-15H,5H2,(H,12,13,16)/b11-4-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.81E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173590 ((E)-2-((E)-(3-Chloro-4-hydroxybenzylideno)thiazoli...) Show SMILES Oc1ccc(\C=N/N=C2\NC(=O)CS2)cc1Cl Show InChI InChI=1S/C10H8ClN3O2S/c11-7-3-6(1-2-8(7)15)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)/b12-4-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.34E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173593 ((E)-2((E)-(4-Hydroxybenzylidin)hydrazono)thiazolid...) Show SMILES Oc1ccc(\C=N/N=C2\NC(=O)CS2)cc1 Show InChI InChI=1S/C10H9N3O2S/c14-8-3-1-7(2-4-8)5-11-13-10-12-9(15)6-16-10/h1-5,14H,6H2,(H,12,13,15)/b11-5-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173592 ((E)-2-((E)-(3,5-Dichloro-2-hydroxybenzylidene)hydr...) Show SMILES Oc1c(Cl)cc(Cl)cc1\C=N\N=C1/NC(=O)CS1 Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)/b13-3+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173589 ((E)-2((E)-(4-Nitrobenzylidene)hydrazono)thiazolidi...) Show SMILES [O-][N+](=O)c1ccc(\C=N\N=C2/NC(=O)CS2)cc1 Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-1-3-8(4-2-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173594 ((E)-2((E)-(3-Bromo-4,5-dimethoxybenzylidene)hydraz...) Show SMILES COc1cc(\C=N\N=C2/NC(=O)CS2)cc(Br)c1OC Show InChI InChI=1S/C12H12BrN3O3S/c1-18-9-4-7(3-8(13)11(9)19-2)5-14-16-12-15-10(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)/b14-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173596 ((E)-2-((E)-(4-Hyrazoxy-3,5-dimethoxybenzylidene)hy...) Show SMILES COc1cc(\C=N\N=C2/NC(=O)CS2)cc(OC)c1O Show InChI InChI=1S/C12H15N5O4S/c1-19-8-3-7(4-9(20-2)11(8)21-17-13)5-14-16-12-15-10(18)6-22-12/h3-5,17H,6,13H2,1-2H3,(H,15,16,18)/b14-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.79E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173600 ((E)-2-((E)-(4-(Benzyloxy)benzylidene)hydrazono)thi...) Show SMILES O=Cc1ccc(\C=N\N=C2/NC(=O)CS2)cc1 Show InChI InChI=1S/C17H15N3O2S/c21-16-12-23-17(19-16)20-18-10-13-6-8-15(9-7-13)22-11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,19,20,21)/b18-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.92E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173601 ((2Z)-2,20(Z)-(1,4-Phenylenebis(methane-1-yl-yliden...) Show SMILES Cc1ccc(\C=N/N=C2\NC(=O)CS2)cc1 Show InChI InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)6-12-14-11-13-10(15)7-16-11/h2-6H,7H2,1H3,(H,13,14,15)/b12-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.39E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330399 (4-(2,4-Dimethylphenyl)-5-(3-nitrophenyl)-2,4-dihyd...) Show SMILES Cc1ccc(c(C)c1)-n1c(n[nH]c1=S)-c1cccc(c1)[N+]([O-])=O |(49.48,-4.19,;48.7,-2.86,;47.16,-2.86,;46.39,-1.53,;47.15,-.2,;48.69,-.19,;49.45,1.15,;49.47,-1.51,;46.38,1.12,;44.92,1.6,;44.92,3.14,;46.38,3.62,;47.29,2.37,;48.83,2.37,;43.67,.7,;43.67,-.85,;42.33,-1.62,;41,-.85,;41,.69,;42.33,1.46,;39.67,1.46,;39.67,3,;38.33,.69,)| Show InChI InChI=1S/C16H14N4O2S/c1-10-6-7-14(11(2)8-10)19-15(17-18-16(19)23)12-4-3-5-13(9-12)20(21)22/h3-9H,1-2H3,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173588 ((E)-2-((E)-(2-Nitrobenzylidene)hydrazono)thiazolid...) Show SMILES [O-][N+](=O)c1ccccc1\C=N\N=C1/NC(=O)CS1 Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-3-1-2-4-8(7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173598 (4-((E)-((E)-(4-Oxothiazolidin-2-ylidene)hydrazono)...) Show SMILES COc1cc(\C=N\N=C2/NC(=O)CS2)ccc1OCc1ccccc1 Show InChI InChI=1S/C11H9N3O2S/c15-6-9-3-1-8(2-4-9)5-12-14-11-13-10(16)7-17-11/h1-6H,7H2,(H,13,14,16)/b12-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.85E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173603 ((E)-2-(E)-((1H-Indole-3-yl)methylene)hydrazono)thi...) Show SMILES O=C1CS\C(N1)=N\N=C/C1C=Nc2ccccc12 |c:11| Show InChI InChI=1S/C12H10N4OS/c17-11-7-18-12(15-11)16-14-6-8-5-13-10-4-2-1-3-9(8)10/h1-6,8H,7H2,(H,15,16,17)/b14-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.14E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173591 ((E)-2-((E)-(2,3-Dimethoxybenzylidene)hydrazono)thi...) Show SMILES COc1cccc(\C=N\N=C2/NC(=O)CS2)c1OC Show InChI InChI=1S/C12H13N3O3S/c1-17-9-5-3-4-8(11(9)18-2)6-13-15-12-14-10(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.25E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373134 (CHEMBL260609) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cn[nH]c3)c2C1 |w:4.3| Show InChI InChI=1S/C15H20N4O2/c1-15(2,3)9-4-5-12-11(6-9)13(19-21-12)14(20)18-10-7-16-17-8-10/h7-9H,4-6H2,1-3H3,(H,16,17)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173599 ((Z)-2-((Z)-(4-(Dimethyl amino)benzylodine)hydrazon...) Show SMILES COc1cc(\C=N/N=C2\NC(=O)CS2)ccc1OCc1ccccc1 Show InChI InChI=1S/C18H17N3O3S/c1-23-16-9-14(10-19-21-18-20-17(22)12-25-18)7-8-15(16)24-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21,22)/b19-10-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.89E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173605 ((Z)-2-((Z)-(2,4-Dimethoxybenzoylidine)hydrazono)th...) Show SMILES COc1ccc(\C=N/N=C2\NC(=O)CS2)c(OC)c1 Show InChI InChI=1S/C12H13N3O3S/c1-17-9-4-3-8(10(5-9)18-2)6-13-15-12-14-11(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.97E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330400 (4-(2,3-Dimethylphenyl)-5-phenyl-2,4-dihydro-3H-1,2...) Show SMILES Cc1cccc(c1C)-n1c(n[nH]c1=S)-c1ccccc1 |(3.14,-10.63,;1.6,-10.64,;.83,-11.99,;-.71,-12,;-1.48,-10.67,;-.72,-9.33,;.82,-9.32,;1.58,-7.98,;-1.49,-8.01,;-2.96,-7.53,;-2.96,-5.99,;-1.49,-5.52,;-.59,-6.76,;.95,-6.76,;-4.21,-8.43,;-5.54,-7.67,;-6.87,-8.44,;-6.87,-9.98,;-5.54,-10.75,;-4.2,-9.98,)| Show InChI InChI=1S/C16H15N3S/c1-11-7-6-10-14(12(11)2)19-15(17-18-16(19)20)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330403 (5-(4-Chlorophenyl)-4-(2,4-dimethylphenyl)-2,4-dihy...) Show SMILES Cc1ccc(c(C)c1)-n1c(n[nH]c1=S)-c1ccc(Cl)cc1 |(16.71,-26.67,;15.94,-25.34,;14.39,-25.35,;13.62,-24.02,;14.39,-22.68,;15.92,-22.67,;16.68,-21.33,;16.7,-24,;13.61,-21.36,;12.15,-20.89,;12.15,-19.35,;13.61,-18.87,;14.52,-20.12,;16.06,-20.12,;10.9,-21.79,;9.56,-21.02,;8.23,-21.79,;8.23,-23.34,;6.9,-24.11,;9.57,-24.11,;10.9,-23.34,)| Show InChI InChI=1S/C16H14ClN3S/c1-10-3-8-14(11(2)9-10)20-15(18-19-16(20)21)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330408 (5-(4-Chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-th...) Show SMILES Cc1cccc(C)c1Nc1nnc(s1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClN3S/c1-10-4-3-5-11(2)14(10)18-16-20-19-15(21-16)12-6-8-13(17)9-7-12/h3-9H,1-2H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330404 (5-(2-Chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-th...) Show SMILES Cc1cccc(C)c1Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C16H14ClN3S/c1-10-6-5-7-11(2)14(10)18-16-20-19-15(21-16)12-8-3-4-9-13(12)17/h3-9H,1-2H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330402 (5-(3-Chlorophenyl)-4-(2,6-dimethylphenyl)-2,4-dihy...) Show SMILES Cc1cccc(C)c1-n1c(n[nH]c1=S)-c1cccc(Cl)c1 |(2.05,-20,;1.29,-21.34,;2.07,-22.66,;1.31,-24.01,;-.24,-24.01,;-1.01,-22.68,;-2.55,-22.69,;-.24,-21.35,;-1.02,-20.02,;-2.48,-19.55,;-2.48,-18.01,;-1.02,-17.53,;-.11,-18.78,;1.43,-18.78,;-3.73,-20.45,;-3.73,-22,;-5.06,-22.77,;-6.4,-22,;-6.4,-20.46,;-7.73,-19.69,;-5.07,-19.68,)| Show InChI InChI=1S/C16H14ClN3S/c1-10-5-3-6-11(2)14(10)20-15(18-19-16(20)21)12-7-4-8-13(17)9-12/h3-9H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330406 (CHEMBL1277639 | N-(2,4-Dimethylphenyl)-5-(3-nitrop...) Show SMILES Cc1ccc(Nc2nnc(s2)-c2cccc(c2)[N+]([O-])=O)c(C)c1 Show InChI InChI=1S/C16H14N4O2S/c1-10-6-7-14(11(2)8-10)17-16-19-18-15(23-16)12-4-3-5-13(9-12)20(21)22/h3-9H,1-2H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330407 (CHEMBL1275865 | N-(2,3-Dimethylphenyl)-5-phenyl-1,...) Show SMILES Cc1cccc(Nc2nnc(s2)-c2ccccc2)c1C Show InChI InChI=1S/C16H15N3S/c1-11-7-6-10-14(12(11)2)17-16-19-18-15(20-16)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330401 (5-(3-Chlorophenyl)-4-(2,4-dimethylphenyl)-2,4-dihy...) Show SMILES Cc1ccc(c(C)c1)-n1c(n[nH]c1=S)-c1cccc(Cl)c1 |(30.99,-14.15,;30.22,-12.82,;28.67,-12.83,;27.9,-11.5,;28.67,-10.16,;30.2,-10.15,;30.96,-8.81,;30.98,-11.48,;27.89,-8.84,;26.43,-8.36,;26.43,-6.82,;27.89,-6.35,;28.8,-7.59,;30.34,-7.59,;25.18,-9.26,;25.18,-10.81,;23.85,-11.59,;22.51,-10.82,;22.51,-9.27,;21.18,-8.5,;23.84,-8.5,)| Show InChI InChI=1S/C16H14ClN3S/c1-10-6-7-14(11(2)8-10)20-15(18-19-16(20)21)12-4-3-5-13(17)9-12/h3-9H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50330405 (5-(4-Chlorophenyl)-N-(2,3-dimethylphenyl)-1,3,4-th...) Show SMILES Cc1cccc(Nc2nnc(s2)-c2ccc(Cl)cc2)c1C Show InChI InChI=1S/C16H14ClN3S/c1-10-4-3-5-14(11(10)2)18-16-20-19-15(21-16)12-6-8-13(17)9-7-12/h3-9H,1-2H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method				Eur J Med Chem 45: 5200-7 (2010) Article DOI: 10.1016/j.ejmech.2010.08.034 BindingDB Entry DOI: 10.7270/Q20R9PND
					More data for this Ligand-Target Pair