Compile Data Set for Download or QSAR

Found 596 hits of ic50 for Urease
having polymerids = 2721,5036,5908,9274,9993 and
complexids = 211,212,50004169   

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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50532145 (CHEMBL1549559) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C17H16N4O4S2/c1-13-3-7-15(8-4-13)26(22,23)20-14-5-9-16(10-6-14)27(24,25)21-17-18-11-2-12-19-17/h2-12,20H,1H3,(H,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253257 (CHEMBL4100084) Show SMILES CNC(=S)NNC(=O)Cn1c(nc2cc(Cl)c(Cl)cc12)C1CC1 Show InChI InChI=1S/C14H15Cl2N5OS/c1-17-14(23)20-19-12(22)6-21-11-5-9(16)8(15)4-10(11)18-13(21)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,19,22)(H2,17,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178021 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2ccc(cc2Cl)[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H13ClN4O5S2/c1-10-9-28-17(21(10)11-2-5-13(6-3-11)29(19,26)27)20-16(23)14-7-4-12(22(24)25)8-15(14)18/h2-9H,1H3,(H2,19,26,27)/b20-17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253269 (CHEMBL4092986) Show SMILES Fc1ccc(\C=N\NC(=O)Cn2c(nc3cc(Cl)c(Cl)cc23)C2CC2)cc1Br Show InChI InChI=1S/C19H14BrCl2FN4O/c20-12-5-10(1-4-15(12)23)8-24-26-18(28)9-27-17-7-14(22)13(21)6-16(17)25-19(27)11-2-3-11/h1,4-8,11H,2-3,9H2,(H,26,28)/b24-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178020 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2cccc(F)c2)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14FN3O3S2/c1-11-10-25-17(20-16(22)12-3-2-4-13(18)9-12)21(11)14-5-7-15(8-6-14)26(19,23)24/h2-10H,1H3,(H2,19,23,24)/b20-17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178016 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2ccc(C)cc2)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17N3O3S2/c1-12-3-5-14(6-4-12)17(22)20-18-21(13(2)11-25-18)15-7-9-16(10-8-15)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					More data for this Ligand-Target Pair
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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178019 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES COc1cccc(c1)C(=O)\N=c1/scc(C)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17N3O4S2/c1-12-11-26-18(20-17(22)13-4-3-5-15(10-13)25-2)21(12)14-6-8-16(9-7-14)27(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178017 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2ccc(cc2)[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14N4O5S2/c1-11-10-27-17(19-16(22)12-2-4-14(5-3-12)21(23)24)20(11)13-6-8-15(9-7-13)28(18,25)26/h2-10H,1H3,(H2,18,25,26)/b19-17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178022 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2ccco2)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13N3O4S2/c1-10-9-23-15(17-14(19)13-3-2-8-22-13)18(10)11-4-6-12(7-5-11)24(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-15-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178014 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2C)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17N3O3S2/c1-12-5-3-4-6-16(12)17(22)20-18-21(13(2)11-25-18)14-7-9-15(10-8-14)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178015 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2cccc(C)c2)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17N3O3S2/c1-12-4-3-5-14(10-12)17(22)20-18-21(13(2)11-25-18)15-6-8-16(9-7-15)26(19,23)24/h3-11H,1-2H3,(H2,19,23,24)/b20-18-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178013 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-12-11-24-17(19-16(21)13-5-3-2-4-6-13)20(12)14-7-9-15(10-8-14)25(18,22)23/h2-11H,1H3,(H2,18,22,23)/b19-17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50356190 (CHEMBL193474) Show SMILES NC(=[SH+])[N-][N-][CH+]c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C8H7N4O2S/c9-8(15)11-10-5-6-2-1-3-7(4-6)12(13)14/h1-5H,(H2-,9,11,15)/q-1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method				Eur J Med Chem 46: 5473-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.009 BindingDB Entry DOI: 10.7270/Q2GM87QH
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50123230 (CHEMBL3622691) Show SMILES Cc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;8.8,-.29,;9.49,.73,;9.35,-1.4,;10.03,-.38,)| Show InChI InChI=1S/C37H26F3N3/c1-24-16-22-29(23-17-24)43-35(27-12-6-3-7-13-27)34(25-10-4-2-5-11-25)42-36(43)32-30-14-8-9-15-31(30)41-33(32)26-18-20-28(21-19-26)37(38,39)40/h2-23,41H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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 the Punjab Curated by ChEMBL					Assay Description Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...				Eur J Med Chem 102: 464-70 (2015) Article DOI: 10.1016/j.ejmech.2015.08.011 BindingDB Entry DOI: 10.7270/Q2PV6N68
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50356195 (CHEMBL241902) Show SMILES CN(C)c1ccc(C=NNC(N)=S)cc1 |w:7.6| Show InChI InChI=1S/C10H14N4S/c1-14(2)9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,1-2H3,(H3,11,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method				Eur J Med Chem 46: 5473-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.009 BindingDB Entry DOI: 10.7270/Q2GM87QH
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253270 (CHEMBL4071196) Show SMILES Oc1ccc(Br)cc1\C=N\NC(=O)Cn1c(nc2cc(Cl)c(Cl)cc12)C1CC1 Show InChI InChI=1S/C19H15BrCl2N4O2/c20-12-3-4-17(27)11(5-12)8-23-25-18(28)9-26-16-7-14(22)13(21)6-15(16)24-19(26)10-1-2-10/h3-8,10,27H,1-2,9H2,(H,25,28)/b23-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452584 (CHEMBL4208211) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C40H30Cl4N8O2S2/c1-20-2-4-21(5-3-20)36(28-18-45-34-12-6-22(14-26(28)34)37(53)49-51-39(55)47-24-8-10-30(41)32(43)16-24)29-19-46-35-13-7-23(15-27(29)35)38(54)50-52-40(56)48-25-9-11-31(42)33(44)17-25/h2-19,36,45-46H,1H3,(H,49,53)(H,50,54)(H2,47,51,55)(H2,48,52,56)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253275 (CHEMBL4092021) Show SMILES Oc1ccc(Cl)cc1\C=N\NC(=O)Cn1c(nc2cc(Cl)c(Cl)cc12)C1CC1 Show InChI InChI=1S/C19H15Cl3N4O2/c20-12-3-4-17(27)11(5-12)8-23-25-18(28)9-26-16-7-14(22)13(21)6-15(16)24-19(26)10-1-2-10/h3-8,10,27H,1-2,9H2,(H,25,28)/b23-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50123347 (CHEMBL3622680) Show SMILES Brc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccc(Br)cc12)-c1ccccc1 |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,)| Show InChI InChI=1S/C35H23Br2N3/c36-26-16-19-28(20-17-26)40-34(25-14-8-3-9-15-25)33(24-12-6-2-7-13-24)39-35(40)31-29-22-27(37)18-21-30(29)38-32(31)23-10-4-1-5-11-23/h1-22,38H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...				Eur J Med Chem 102: 464-70 (2015) Article DOI: 10.1016/j.ejmech.2015.08.011 BindingDB Entry DOI: 10.7270/Q2PV6N68
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50123229 (CHEMBL3622693) Show SMILES Fc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;8.8,-.29,;9.49,.73,;9.35,-1.4,;10.03,-.38,)| Show InChI InChI=1S/C36H23F4N3/c37-27-19-21-28(22-20-27)43-34(25-11-5-2-6-12-25)33(23-9-3-1-4-10-23)42-35(43)31-29-13-7-8-14-30(29)41-32(31)24-15-17-26(18-16-24)36(38,39)40/h1-22,41H	PDB MMDB UniProtKB/SwissProt B.MOAD 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 the Punjab Curated by ChEMBL					Assay Description Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...				Eur J Med Chem 102: 464-70 (2015) Article DOI: 10.1016/j.ejmech.2015.08.011 BindingDB Entry DOI: 10.7270/Q2PV6N68
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253254 (CHEMBL4070510) Show SMILES Clc1cc2nc([nH]c2cc1Cl)C1CC1 Show InChI InChI=1S/C10H8Cl2N2/c11-6-3-8-9(4-7(6)12)14-10(13-8)5-1-2-5/h3-5H,1-2H2,(H,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253258 (CHEMBL4103174) Show SMILES Cn1c(S)nnc1Cn1c(nc2cc(Cl)c(Cl)cc12)C1CC1 Show InChI InChI=1S/C14H13Cl2N5S/c1-20-12(18-19-14(20)22)6-21-11-5-9(16)8(15)4-10(11)17-13(21)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50356192 (CHEMBL241894) Show SMILES COc1cccc(C=NNC(N)=S)c1 |w:7.6| Show InChI InChI=1S/C9H11N3OS/c1-13-8-4-2-3-7(5-8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method				Eur J Med Chem 46: 5473-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.009 BindingDB Entry DOI: 10.7270/Q2GM87QH
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50356186 (CHEMBL239452) Show SMILES NC(=S)NN=Cc1ccccc1Cl |w:5.5| Show InChI InChI=1S/C8H8ClN3S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method				Eur J Med Chem 46: 5473-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.009 BindingDB Entry DOI: 10.7270/Q2GM87QH
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253271 (CHEMBL4065321) Show SMILES Oc1ccccc1\C=N\NC(=O)Cn1c(nc2cc(Cl)c(Cl)cc12)C1CC1 Show InChI InChI=1S/C19H16Cl2N4O2/c20-13-7-15-16(8-14(13)21)25(19(23-15)11-5-6-11)10-18(27)24-22-9-12-3-1-2-4-17(12)26/h1-4,7-9,11,26H,5-6,10H2,(H,24,27)/b22-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM53627 (1-[[(E)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-...) Show SMILES NC(=S)NN=Cc1cccc(O)c1O |w:4.3| Show InChI InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-2-1-3-6(12)7(5)13/h1-4,12-13H,(H3,9,11,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method				Eur J Med Chem 46: 5473-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.009 BindingDB Entry DOI: 10.7270/Q2GM87QH
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50356201 (CHEMBL1910224) Show SMILES COc1cc(C=NNC(N)=S)cc(OC)c1O |w:6.6| Show InChI InChI=1S/C10H13N3O3S/c1-15-7-3-6(5-12-13-10(11)17)4-8(16-2)9(7)14/h3-5,14H,1-2H3,(H3,11,13,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method				Eur J Med Chem 46: 5473-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.009 BindingDB Entry DOI: 10.7270/Q2GM87QH
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50356197 (CHEMBL1910221) Show SMILES NC(=S)NN=Cc1ccccc1OCc1ccccc1 |w:4.3| Show InChI InChI=1S/C15H15N3OS/c16-15(20)18-17-10-13-8-4-5-9-14(13)19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H3,16,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method				Eur J Med Chem 46: 5473-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.009 BindingDB Entry DOI: 10.7270/Q2GM87QH
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253273 (CHEMBL4085244) Show SMILES CCNC(=S)NNC(=O)Cn1c(nc2cc(Cl)c(Cl)cc12)C1CC1 Show InChI InChI=1S/C15H17Cl2N5OS/c1-2-18-15(24)21-20-13(23)7-22-12-6-10(17)9(16)5-11(12)19-14(22)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,20,23)(H2,18,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253274 (CHEMBL4100705) Show SMILES Clc1ccc(\C=N\NC(=O)Cn2c(nc3cc(Cl)c(Cl)cc23)C2CC2)cc1 Show InChI InChI=1S/C19H15Cl3N4O/c20-13-5-1-11(2-6-13)9-23-25-18(27)10-26-17-8-15(22)14(21)7-16(17)24-19(26)12-3-4-12/h1-2,5-9,12H,3-4,10H2,(H,25,27)/b23-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50356198 (CHEMBL1910222) Show SMILES COc1ccc(C=NNC(N)=S)cc1OCc1ccccc1 |w:7.7| Show InChI InChI=1S/C16H17N3O2S/c1-20-14-8-7-13(10-18-19-16(17)22)9-15(14)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,17,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method				Eur J Med Chem 46: 5473-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.009 BindingDB Entry DOI: 10.7270/Q2GM87QH
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM178018 ((Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2...) Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2[N+]([O-])=O)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14N4O5S2/c1-11-10-27-17(19-16(22)14-4-2-3-5-15(14)21(23)24)20(11)12-6-8-13(9-7-12)28(18,25)26/h2-10H,1H3,(H2,18,25,26)/b19-17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-i-Azam University					Assay Description The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols metho...				Chem Biol Drug Des 87: 434-43 (2016) Article DOI: 10.1111/cbdd.12675 BindingDB Entry DOI: 10.7270/Q2CZ35X0
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50521797 (CHEMBL4438182) Show SMILES NC(=S)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O |c:4| Show InChI InChI=1S/C19H15N3O2S/c20-19(25)22-16(12-6-2-1-3-7-12)11-15(21-22)14-10-13-8-4-5-9-17(13)24-18(14)23/h1-10,16H,11H2,(H2,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	358	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of jack bean urease incubated for 30 mins by indophenol method				Bioorg Med Chem 27: 3477-3510 (2019) Article DOI: 10.1016/j.bmc.2019.06.033 BindingDB Entry DOI: 10.7270/Q2SB495P
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50123235 (CHEMBL3622686) Show SMILES Clc1ccc(cc1)-c1[nH]c2ccccc2c1-c1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1 |(8.5,-.27,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.2,.03,;4.87,-1.36,;6.41,-1.46,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;1.41,3.98,;-.13,4.08,;-1.08,2.88,;-2.6,3.1,;-3.17,4.53,;-2.22,5.74,;-.69,5.52,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,)| Show InChI InChI=1S/C35H24ClN3/c36-27-22-20-25(21-23-27)32-31(29-18-10-11-19-30(29)37-32)35-38-33(24-12-4-1-5-13-24)34(26-14-6-2-7-15-26)39(35)28-16-8-3-9-17-28/h1-23,37H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...				Eur J Med Chem 102: 464-70 (2015) Article DOI: 10.1016/j.ejmech.2015.08.011 BindingDB Entry DOI: 10.7270/Q2PV6N68
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50253259 (CHEMBL4074987) Show SMILES CCn1c(S)nnc1Cn1c(nc2cc(Cl)c(Cl)cc12)C1CC1 Show InChI InChI=1S/C15H15Cl2N5S/c1-2-21-13(19-20-15(21)23)7-22-12-6-10(17)9(16)5-11(12)18-14(22)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr. Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric m...				Bioorg Med Chem Lett 27: 3014-3018 (2017) Article DOI: 10.1016/j.bmcl.2017.05.019 BindingDB Entry DOI: 10.7270/Q20004H0
					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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129797 (CHEMBL3629072) Show SMILES Fc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H20F2N4S4/c27-17-9-13-19(14-10-17)29-25(33)31-21-5-1-3-7-23(21)35-36-24-8-4-2-6-22(24)32-26(34)30-20-15-11-18(28)12-16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
					More data for this Ligand-Target Pair

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