Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with Target = 'Urease subunit alpha'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24969 ([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...) Show SMILES CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C12H17N2O4PS/c1-19(17,20)9-14-11(15)7-13-12(16)18-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	-39.3	1.80E+3	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24969 ([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...) Show SMILES CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C12H17N2O4PS/c1-19(17,20)9-14-11(15)7-13-12(16)18-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,20)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	-36.8	3.10E+3	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24971 (({[(benzyloxy)carbonyl]amino}methyl)(methyl)sulfan...) Show SMILES CP(O)(=S)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C10H14NO3PS/c1-15(13,16)8-11-10(12)14-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,16)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+4	-28.2	1.58E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24971 (({[(benzyloxy)carbonyl]amino}methyl)(methyl)sulfan...) Show SMILES CP(O)(=S)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C10H14NO3PS/c1-15(13,16)8-11-10(12)14-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.75E+4	-27.6	1.12E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24967 (methyl[(methylamino)methyl]phosphinic acid | organ...) Show SMILES CN=CP(C)(O)O |w:1.0| Show InChI InChI=1S/C3H10NO2P/c1-4-3-7(2,5)6/h3,5-7H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	-27.5	6.00E+4	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24962 ([(2-aminoacetamido)methyl](methyl)phosphinic acid ...) Show SMILES CP(O)(=O)CNC(=O)CN Show InChI InChI=1S/C4H11N2O3P/c1-10(8,9)3-6-4(7)2-5/h2-3,5H2,1H3,(H,6,7)(H,8,9)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+4	-27.1	6.00E+4	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24965 (organophosphorus derivative, 6 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1 |r| Show InChI InChI=1S/C12H19N2O4P/c1-19(16,17)9-14-12(15)11(13)8-18-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+4	-26.7	8.00E+4	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24967 (methyl[(methylamino)methyl]phosphinic acid | organ...) Show SMILES CN=CP(C)(O)O |w:1.0| Show InChI InChI=1S/C3H10NO2P/c1-4-3-7(2,5)6/h3,5-7H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+4	-26.5	1.53E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24962 ([(2-aminoacetamido)methyl](methyl)phosphinic acid ...) Show SMILES CP(O)(=O)CNC(=O)CN Show InChI InChI=1S/C4H11N2O3P/c1-10(8,9)3-6-4(7)2-5/h2-3,5H2,1H3,(H,6,7)(H,8,9)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	-26.2	8.60E+4	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24965 (organophosphorus derivative, 6 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1 |r| Show InChI InChI=1S/C12H19N2O4P/c1-19(16,17)9-14-12(15)11(13)8-18-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.26E+4	-26.0	1.83E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24966 (organophosphorus derivative, 7 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)CO |r| Show InChI InChI=1S/C5H13N2O4P/c1-12(10,11)3-7-5(9)4(6)2-8/h4,8H,2-3,6H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+4	-25.7	1.50E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24966 (organophosphorus derivative, 7 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)CO |r| Show InChI InChI=1S/C5H13N2O4P/c1-12(10,11)3-7-5(9)4(6)2-8/h4,8H,2-3,6H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+4	-25.5	3.42E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24968 (({[(benzyloxy)carbonyl]amino}methyl)(methyl)phosph...) Show SMILES CP(O)(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4.30E+4	-25.3	1.23E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24968 (({[(benzyloxy)carbonyl]amino}methyl)(methyl)phosph...) Show SMILES CP(O)(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	6.50E+4	-24.3	3.19E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24963 (organophosphorus derivative, 4 | {[(2S)-2-amino-3-...) Show SMILES CC(C)[C@H](N)C(=O)NCP(C)(O)=O |r| Show InChI InChI=1S/C7H17N2O3P/c1-5(2)6(8)7(10)9-4-13(3,11)12/h5-6H,4,8H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+5	-22.8	4.85E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24970 ([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...) Show SMILES CP(O)(=O)CNC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C12H17N2O5P/c1-20(17,18)9-14-11(15)7-13-12(16)19-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+5	-22.5	4.50E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24964 (organophosphorus derivative, 5 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C11H17N2O3P/c1-17(15,16)8-13-11(14)10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.76E+5	-21.8	7.54E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24970 ([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...) Show SMILES CP(O)(=O)CNC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C12H17N2O5P/c1-20(17,18)9-14-11(15)7-13-12(16)19-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.78E+5	-21.8	6.40E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24963 (organophosphorus derivative, 4 | {[(2S)-2-amino-3-...) Show SMILES CC(C)[C@H](N)C(=O)NCP(C)(O)=O |r| Show InChI InChI=1S/C7H17N2O3P/c1-5(2)6(8)7(10)9-4-13(3,11)12/h5-6H,4,8H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.08E+5	-21.4	6.17E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24964 (organophosphorus derivative, 5 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C11H17N2O3P/c1-17(15,16)8-13-11(14)10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.15E+5	-21.3	6.00E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24960 ((aminomethyl)(methyl)phosphinic acid | organophosp...) Show SMILES CP(O)(O)C=N Show InChI InChI=1S/C2H8NO2P/c1-6(4,5)2-3/h2-6H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	3.40E+5	-20.1	1.10E+6	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha [F36L]/beta/gamma (Proteus vulgaris)	BDBM24960 ((aminomethyl)(methyl)phosphinic acid | organophosp...) Show SMILES CP(O)(O)C=N Show InChI InChI=1S/C2H8NO2P/c1-6(4,5)2-3/h2-6H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4.25E+5	-19.6	2.53E+6	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50449754 (CHEMBL4167553) Show SMILES ONC(=O)CCNc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C9H10Cl2N2O2/c10-6-3-7(11)5-8(4-6)12-2-1-9(14)13-15/h3-5,12,15H,1-2H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori ATCC 43504 urease assessed as reduction in ammonia production preincubated for 1.5 hrs under cell free condition by...				Eur J Med Chem 156: 126-136 (2018) Article DOI: 10.1016/j.ejmech.2018.06.065 BindingDB Entry DOI: 10.7270/Q2N87DBC
					More data for this Ligand-Target Pair
Urease subunit alpha (Helicobacter pylori)	BDBM221061 (7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-...) Show SMILES CC(=O)N1CCN(CC1)c1cc2n(cc(C(=O)NN)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C19H22FN5O3/c1-11(26)23-4-6-24(7-5-23)17-9-16-13(8-15(17)20)18(27)14(19(28)22-21)10-25(16)12-2-3-12/h8-10,12H,2-7,21H2,1H3,(H,22,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					More data for this Ligand-Target Pair
Urease subunit alpha (Helicobacter pylori)	BDBM221056 (7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-...) Show SMILES CNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)C(C)=O)c(F)cc2c1=O Show InChI InChI=1S/C20H23FN4O3/c1-12(26)23-5-7-24(8-6-23)18-10-17-14(9-16(18)21)19(27)15(20(28)22-2)11-25(17)13-3-4-13/h9-11,13H,3-8H2,1-2H3,(H,22,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					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 (Helicobacter pylori)	BDBM221063 (7-(4-(3,4,5-Trimethoxy piperazin-1-yl))-1-cyclopro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)c1cc2n(cc(C(=O)NN)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C27H30FN5O6/c1-37-22-10-15(11-23(38-2)25(22)39-3)27(36)32-8-6-31(7-9-32)21-13-20-17(12-19(21)28)24(34)18(26(35)30-29)14-33(20)16-4-5-16/h10-14,16H,4-9,29H2,1-3H3,(H,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					More data for this Ligand-Target Pair
Urease subunit alpha (Helicobacter pylori)	BDBM221066 ((S)-9-Fluoro-3,7-dihydro-N-hydroxy-3-methyl-10-(4-...) Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)NO)c3=O |r| Show InChI InChI=1S/C18H21FN4O4/c1-10-9-27-17-14-11(16(24)12(8-23(10)14)18(25)20-26)7-13(19)15(17)22-5-3-21(2)4-6-22/h7-8,10,26H,3-6,9H2,1-2H3,(H,20,25)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					More data for this Ligand-Target Pair
Urease subunit alpha (Helicobacter pylori)	BDBM221051 (7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-...) Show SMILES CC(=O)N1CCN(CC1)c1cc2n(cc(C(=O)NO)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C19H21FN4O4/c1-11(25)22-4-6-23(7-5-22)17-9-16-13(8-15(17)20)18(26)14(19(27)21-28)10-24(16)12-2-3-12/h8-10,12,28H,2-7H2,1H3,(H,21,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					More data for this Ligand-Target Pair
Urease subunit alpha (Helicobacter pylori)	BDBM221050 (N-acetyl ciprofloxacin) Show SMILES CC(=O)N1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C19H20FN3O4/c1-11(24)21-4-6-22(7-5-21)17-9-16-13(8-15(17)20)18(25)14(19(26)27)10-23(16)12-2-3-12/h8-10,12H,2-7H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					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 (Helicobacter pylori)	BDBM221067 ((S)-9-Fluoro-3,7-dihydro-N,3-dimethyl-10-(4-methyl...) Show SMILES CNC(=O)c1cn2[C@@H](C)COc3c(N4CCN(C)CC4)c(F)cc(c23)c1=O |r| Show InChI InChI=1S/C19H23FN4O3/c1-11-10-27-18-15-12(17(25)13(9-24(11)15)19(26)21-2)8-14(20)16(18)23-6-4-22(3)5-7-23/h8-9,11H,4-7,10H2,1-3H3,(H,21,26)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					More data for this Ligand-Target Pair
Urease subunit alpha (Helicobacter pylori)	BDBM221058 (7-(4-(3,4,5-Trimetoxybenzoylpiperazin-1-yl))-1-cyc...) Show SMILES CNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)C(=O)c3cc(OC)c(OC)c(OC)c3)c(F)cc2c1=O Show InChI InChI=1S/C28H31FN4O6/c1-30-27(35)19-15-33(17-5-6-17)21-14-22(20(29)13-18(21)25(19)34)31-7-9-32(10-8-31)28(36)16-11-23(37-2)26(39-4)24(12-16)38-3/h11-15,17H,5-10H2,1-4H3,(H,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					More data for this Ligand-Target Pair
Urease subunit alpha (Escherichia coli)	BDBM50532158 (CHEMBL4437765) Show SMILES Oc1ccc(cc1)C(=N\NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)\c1ccccc1 Show InChI InChI=1S/C19H15N3O5S/c23-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)20-21-28(26,27)18-12-8-16(9-13-18)22(24)25/h1-13,21,23H/b20-19+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA				Bioorg Med Chem 27: 1009-1022 (2019) Article DOI: 10.1016/j.bmc.2019.01.043 BindingDB Entry DOI: 10.7270/Q2FN19P8
					More data for this Ligand-Target Pair
Urease subunit alpha (Escherichia coli)	BDBM50532155 (CHEMBL4473387) Show SMILES Oc1ccc(cc1)C(=N\NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)\c1ccccc1 Show InChI InChI=1S/C19H14Cl2N2O4S/c20-14-10-16(21)19(25)17(11-14)28(26,27)23-22-18(12-4-2-1-3-5-12)13-6-8-15(24)9-7-13/h1-11,23-25H/b22-18+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA				Bioorg Med Chem 27: 1009-1022 (2019) Article DOI: 10.1016/j.bmc.2019.01.043 BindingDB Entry DOI: 10.7270/Q2FN19P8
					More data for this Ligand-Target Pair
Urease subunit alpha (Escherichia coli)	BDBM50532153 (CHEMBL4441391) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N\N=C(/c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C25H23N3O3S/c1-28(2)23-12-6-11-22-21(23)10-7-13-24(22)32(30,31)27-26-25(18-8-4-3-5-9-18)19-14-16-20(29)17-15-19/h3-17,27,29H,1-2H3/b26-25+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA				Bioorg Med Chem 27: 1009-1022 (2019) Article DOI: 10.1016/j.bmc.2019.01.043 BindingDB Entry DOI: 10.7270/Q2FN19P8
					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
Urease subunit alpha (Helicobacter pylori)	BDBM221053 (7-(4-(3,4,5-Trimethoxybenzoylpiperazin-1-yl)-1-cyc...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)c1cc2n(cc(C(=O)NO)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C27H29FN4O7/c1-37-22-10-15(11-23(38-2)25(22)39-3)27(35)31-8-6-30(7-9-31)21-13-20-17(12-19(21)28)24(33)18(26(34)29-36)14-32(20)16-4-5-16/h10-14,16,36H,4-9H2,1-3H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University					Assay Description The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...				Bioorg Chem 70: 1-11 (2017) Article DOI: 10.1016/j.bioorg.2016.11.002 BindingDB Entry DOI: 10.7270/Q2PZ57NS
					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)	BDBM181105 (3-(3,4,5-Trimethoxybenzoyl)-(4-hydroxycoumarin) (9...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H16O7/c1-23-13-8-10(9-14(24-2)18(13)25-3)16(20)15-17(21)11-6-4-5-7-12(11)26-19(15)22/h4-9,21H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	30
COMSATS Institute of Information Technology					Assay Description Reaction mixtures comprising one unit of urease enzyme (B. pasteurii) solution and 55 µL of buffers containing 100 mMol urea were incubated with 5 µL...				Bioorg Chem 66: 111-6 (2016) Article DOI: 10.1016/j.bioorg.2016.04.005 BindingDB Entry DOI: 10.7270/Q2QZ28RQ
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM181103 (3-Decanoyl-(4-hydroxycoumarin) (5)) Show SMILES CCCCCCCCCC(=O)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H24O4/c1-2-3-4-5-6-7-8-12-15(20)17-18(21)14-11-9-10-13-16(14)23-19(17)22/h9-11,13,21H,2-8,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	30
COMSATS Institute of Information Technology					Assay Description Reaction mixtures comprising one unit of urease enzyme (B. pasteurii) solution and 55 µL of buffers containing 100 mMol urea were incubated with 5 µL...				Bioorg Chem 66: 111-6 (2016) Article DOI: 10.1016/j.bioorg.2016.04.005 BindingDB Entry DOI: 10.7270/Q2QZ28RQ
					More data for this Ligand-Target Pair
Urease subunit alpha (Escherichia coli)	BDBM50532164 (CHEMBL4436232) Show SMILES Oc1ccc(cc1)C(=N\NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)\c1ccccc1 Show InChI InChI=1S/C19H15N3O5S/c23-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)20-21-28(26,27)18-8-4-7-16(13-18)22(24)25/h1-13,21,23H/b20-19+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA				Bioorg Med Chem 27: 1009-1022 (2019) Article DOI: 10.1016/j.bmc.2019.01.043 BindingDB Entry DOI: 10.7270/Q2FN19P8
					More data for this Ligand-Target Pair
Urease subunit alpha (Escherichia coli)	BDBM50532156 (CHEMBL4587997) Show SMILES COc1ccc(cc1)S(=O)(=O)N\N=C(/c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C20H18N2O4S/c1-26-18-11-13-19(14-12-18)27(24,25)22-21-20(15-5-3-2-4-6-15)16-7-9-17(23)10-8-16/h2-14,22-23H,1H3/b21-20+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA				Bioorg Med Chem 27: 1009-1022 (2019) Article DOI: 10.1016/j.bmc.2019.01.043 BindingDB Entry DOI: 10.7270/Q2FN19P8
					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 (Escherichia coli)	BDBM50532150 (CHEMBL4521852) Show SMILES Oc1ccc(cc1)C(=N\NS(=O)(=O)c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C19H16N2O3S/c22-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)20-21-25(23,24)18-9-5-2-6-10-18/h1-14,21-22H/b20-19+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA				Bioorg Med Chem 27: 1009-1022 (2019) Article DOI: 10.1016/j.bmc.2019.01.043 BindingDB Entry DOI: 10.7270/Q2FN19P8
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Urease subunit alpha (Escherichia coli)	BDBM50532162 (CHEMBL4446149) Show SMILES Oc1ccc(cc1)C(=N\NS(=O)(=O)c1ccccc1Cl)\c1ccccc1 Show InChI InChI=1S/C19H15ClN2O3S/c20-17-8-4-5-9-18(17)26(24,25)22-21-19(14-6-2-1-3-7-14)15-10-12-16(23)13-11-15/h1-13,22-23H/b21-19+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA				Bioorg Med Chem 27: 1009-1022 (2019) Article DOI: 10.1016/j.bmc.2019.01.043 BindingDB Entry DOI: 10.7270/Q2FN19P8
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM181104 (3-Lauroyl-(4-hydroxycoumarin) (6)) Show SMILES CCCCCCCCCCCC(=O)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C21H28O4/c1-2-3-4-5-6-7-8-9-10-14-17(22)19-20(23)16-13-11-12-15-18(16)25-21(19)24/h11-13,15,23H,2-10,14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	30
COMSATS Institute of Information Technology					Assay Description Reaction mixtures comprising one unit of urease enzyme (B. pasteurii) solution and 55 µL of buffers containing 100 mMol urea were incubated with 5 µL...				Bioorg Chem 66: 111-6 (2016) Article DOI: 10.1016/j.bioorg.2016.04.005 BindingDB Entry DOI: 10.7270/Q2QZ28RQ
					More data for this Ligand-Target Pair

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