Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'riaz' and Initial = 'm'   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164750 (CHEMBL194174 | [2-(3-Benzyl-3H-inden-1-yl)-ethyl]-...) Show SMILES CNCCC1=CC(Cc2ccccc2)c2ccccc12 |t:4| Show InChI InChI=1S/C19H21N/c1-20-12-11-16-14-17(13-15-7-3-2-4-8-15)19-10-6-5-9-18(16)19/h2-10,14,17,20H,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164758 (2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine ...) Show SMILES CN(C)CCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H22N2/c1-20(2)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,15H,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164756 (CHEMBL371978 | Dimethyl-[2-(1-phenethyl-1H-indol-3...) Show SMILES CN(C)CCc1cn(CCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C20H24N2/c1-21(2)14-13-18-16-22(20-11-7-6-10-19(18)20)15-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164759 (CHEMBL186621 | [2-(3-Benzyl-indol-1-yl)-ethyl]-dim...) Show SMILES CN(C)CCn1cc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H22N2/c1-20(2)12-13-21-15-17(14-16-8-4-3-5-9-16)18-10-6-7-11-19(18)21/h3-11,15H,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	-42.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164752 (4-[1-(2-Dimethylamino-ethyl)-1H-indol-3-ylmethyl]-...) Show SMILES CN(C)CCn1cc(Cc2ccc(N)cc2)c2ccccc12 Show InChI InChI=1S/C19H23N3/c1-21(2)11-12-22-14-16(18-5-3-4-6-19(18)22)13-15-7-9-17(20)10-8-15/h3-10,14H,11-13,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164746 (CHEMBL427354 | Dimethyl-(2-{3-[1-phenyl-meth-(E)-y...) Show SMILES CN(C)CCC1=C\C(=C/c2ccccc2)c2ccccc12 |t:5| Show InChI InChI=1S/C20H21N/c1-21(2)13-12-17-15-18(14-16-8-4-3-5-9-16)20-11-7-6-10-19(17)20/h3-11,14-15H,12-13H2,1-2H3/b18-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	-41.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164754 (CHEMBL195317 | Methyl-[2-(3-phenethyl-3H-inden-1-y...) Show SMILES CNCCC1=CC(CCc2ccccc2)c2ccccc12 |t:4| Show InChI InChI=1S/C20H23N/c1-21-14-13-18-15-17(19-9-5-6-10-20(18)19)12-11-16-7-3-2-4-8-16/h2-10,15,17,21H,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	-40.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164749 (4-Inden-(1E)-ylidenemethyl-phenylamine | CHEMBL193...) Show SMILES Nc1ccc(\C=C2/C=Cc3ccccc23)cc1 |c:7| Show InChI InChI=1S/C16H13N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,17H2/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	-35.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164755 (4-(Indane-1-sulfonyl)-phenylamine | CHEMBL191972) Show SMILES Nc1ccc(cc1)S(=O)(=O)C1CCc2ccccc12 Show InChI InChI=1S/C15H15NO2S/c16-12-6-8-13(9-7-12)19(17,18)15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9,15H,5,10,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	740	-35.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164747 (4-(1H-Indol-3-ylmethyl)-phenylamine | CHEMBL364248) Show SMILES Nc1ccc(Cc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C15H14N2/c16-13-7-5-11(6-8-13)9-12-10-17-15-4-2-1-3-14(12)15/h1-8,10,17H,9,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+3	-31.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164748 (4-(Indan-1-ylsulfanyl)-phenylamine | CHEMBL191844) Show SMILES Nc1ccc(SC2CCc3ccccc23)cc1 Show InChI InChI=1S/C15H15NS/c16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9,15H,5,10,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+3	-30.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164753 (4-(1H-Inden-1-ylmethyl)-phenylamine | CHEMBL193637) Show SMILES Nc1ccc(CC2C=Cc3ccccc23)cc1 |c:7| Show InChI InChI=1S/C16H15N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-10,14H,11,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.47E+3	-30.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164751 (4-Indan-1-ylmethyl-phenylamine | CHEMBL364089) Show SMILES Nc1ccc(CC2CCc3ccccc23)cc1 Show InChI InChI=1S/C16H17N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-6,9-10,14H,7-8,11,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.10E+3	-29.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164757 (4-(3H-Inden-1-ylmethyl)-phenylamine | CHEMBL371048) Show SMILES Nc1ccc(CC2=CCc3ccccc23)cc1 |t:6| Show InChI InChI=1S/C16H15N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-6,8-10H,7,11,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.18E+4	-28.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...				Bioorg Med Chem Lett 15: 1987-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.070 BindingDB Entry DOI: 10.7270/Q22B8XJ2
					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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129738 (CHEMBL3629545) Show SMILES Fc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1F Show InChI InChI=1S/C26H20F2N4S4/c27-17-9-1-3-11-19(17)29-25(33)31-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)32-26(34)30-20-12-4-2-10-18(20)28/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	700	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129802 (CHEMBL3629548) Show SMILES Cc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1C Show InChI InChI=1S/C28H26N4S4/c1-19-11-3-5-13-21(19)29-27(33)31-23-15-7-9-17-25(23)35-36-26-18-10-8-16-24(26)32-28(34)30-22-14-6-4-12-20(22)2/h3-18H,1-2H3,(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	1.10E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129798 (CHEMBL3629071) Show SMILES Cc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(C)cc2)cc1 Show InChI InChI=1S/C28H26N4S4/c1-19-11-15-21(16-12-19)29-27(33)31-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)32-28(34)30-22-17-13-20(2)14-18-22/h3-18H,1-2H3,(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	1.40E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181084 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-nitrophen...) Show SMILES [O-][N+](=O)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C21H15N5O3S2/c27-19(24-25-21(30)22-15-9-11-16(12-10-15)26(28)29)13-5-7-14(8-6-13)20-23-17-3-1-2-4-18(17)31-20/h1-12H,(H,24,27)(H2,22,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129744 (CHEMBL3629078) Show SMILES Fc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(F)c2)c1 Show InChI InChI=1S/C26H20F2N4S4/c27-17-7-5-9-19(15-17)29-25(33)31-21-11-1-3-13-23(21)35-36-24-14-4-2-12-22(24)32-26(34)30-20-10-6-8-18(28)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 Patents Similars	Article PubMed	n/a	n/a	1.50E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129746 (CHEMBL3629076) Show SMILES FC(F)(F)c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H20F6N4S4/c29-27(30,31)17-9-13-19(14-10-17)35-25(39)37-21-5-1-3-7-23(21)41-42-24-8-4-2-6-22(24)38-26(40)36-20-15-11-18(12-16-20)28(32,33)34/h1-16H,(H2,35,37,39)(H2,36,38,40)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM60592 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-(trifluor...) Show SMILES FC(F)(F)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C22H15F3N4OS2/c23-22(24,25)15-9-11-16(12-10-15)26-21(31)29-28-19(30)13-5-7-14(8-6-13)20-27-17-3-1-2-4-18(17)32-20/h1-12H,(H,28,30)(H2,26,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129801 (CHEMBL3629549) Show SMILES Clc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H20Cl2N4S4/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	1.60E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129804 (CHEMBL3629546) Show SMILES COc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1OC Show InChI InChI=1S/C28H26N4O2S4/c1-33-23-15-7-3-11-19(23)29-27(35)31-21-13-5-9-17-25(21)37-38-26-18-10-6-14-22(26)32-28(36)30-20-12-4-8-16-24(20)34-2/h3-18H,1-2H3,(H2,29,31,35)(H2,30,32,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181090 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(3,4-dichlor...) Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1Cl Show InChI InChI=1S/C21H14Cl2N4OS2/c22-15-10-9-14(11-16(15)23)24-21(29)27-26-19(28)12-5-7-13(8-6-12)20-25-17-3-1-2-4-18(17)30-20/h1-11H,(H,26,28)(H2,24,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50092444 (CHEMBL3586121) Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1O Show InChI InChI=1S/C23H18N4O2/c1-13-11-18-19(12-14(13)2)25-21(24-18)15-7-9-16(10-8-15)22-26-27-23(29-22)17-5-3-4-6-20(17)28/h3-12,28H,1-2H3,(H,24,25)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50160569 (CHEMBL3785671) Show SMILES Clc1ccc(Nc2nnc(s2)-c2ccccc2Cl)cc1Cl Show InChI InChI=1S/C14H8Cl3N3S/c15-10-4-2-1-3-9(10)13-19-20-14(21-13)18-8-5-6-11(16)12(17)7-8/h1-7H,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181080 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-fluorophe...) Show SMILES Fc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C21H15FN4OS2/c22-15-9-11-16(12-10-15)23-21(28)26-25-19(27)13-5-7-14(8-6-13)20-24-17-3-1-2-4-18(17)29-20/h1-12H,(H,25,27)(H2,23,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129740 (CHEMBL3629543) Show SMILES Clc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1Cl Show InChI InChI=1S/C26H18Cl4N4S4/c27-17-11-9-15(13-19(17)29)31-25(35)33-21-5-1-3-7-23(21)37-38-24-8-4-2-6-22(24)34-26(36)32-16-10-12-18(28)20(30)14-16/h1-14H,(H2,31,33,35)(H2,32,34,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.20E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129739 (CHEMBL3629544) Show SMILES Clc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C26H20Cl2N4S4/c27-17-9-1-3-11-19(17)29-25(33)31-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)32-26(34)30-20-12-4-2-10-18(20)28/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	3.40E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181076 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(2-fluorophe...) Show SMILES Fc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C21H15FN4OS2/c22-15-5-1-2-6-16(15)24-21(28)26-25-19(27)13-9-11-14(12-10-13)20-23-17-7-3-4-8-18(17)29-20/h1-12H,(H,25,27)(H2,24,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129745 (CHEMBL3629077) Show SMILES Cc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(C)c2)c1 Show InChI InChI=1S/C28H26N4S4/c1-19-9-7-11-21(17-19)29-27(33)31-23-13-3-5-15-25(23)35-36-26-16-6-4-14-24(26)32-28(34)30-22-12-8-10-20(2)18-22/h3-18H,1-2H3,(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	3.70E+3	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
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50160575 (CHEMBL3786740) Show SMILES COc1ccc(cc1)-c1nnc(Nc2ccc(Cl)c(Cl)c2)s1 Show InChI InChI=1S/C15H11Cl2N3OS/c1-21-11-5-2-9(3-6-11)14-19-20-15(22-14)18-10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129795 (CHEMBL3629074) Show SMILES COc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H26N4O2S4/c1-33-21-15-11-19(12-16-21)29-27(35)31-23-7-3-5-9-25(23)37-38-26-10-6-4-8-24(26)32-28(36)30-20-13-17-22(34-2)18-14-20/h3-18H,1-2H3,(H2,29,31,35)(H2,30,32,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129796 (CHEMBL3629073) Show SMILES Brc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C26H20Br2N4S4/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	4.30E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181077 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(2-chlorophe...) Show SMILES Clc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C21H15ClN4OS2/c22-15-5-1-2-6-16(15)24-21(28)26-25-19(27)13-9-11-14(12-10-13)20-23-17-7-3-4-8-18(17)29-20/h1-12H,(H,25,27)(H2,24,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50160567 (CHEMBL3787430) Show SMILES Oc1cccc(\C=N/c2nc(cs2)-c2ccccc2)c1O Show InChI InChI=1S/C16H12N2O2S/c19-14-8-4-7-12(15(14)20)9-17-16-18-13(10-21-16)11-5-2-1-3-6-11/h1-10,19-20H/b17-9-	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181082 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-chlorophe...) Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C21H15ClN4OS2/c22-15-9-11-16(12-10-15)23-21(28)26-25-19(27)13-5-7-14(8-6-13)20-24-17-3-1-2-4-18(17)29-20/h1-12H,(H,25,27)(H2,23,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181088 (4-(1,3-benzothiazol-2-yl)-N-{[(3-nitrophenyl)carba...) Show SMILES [O-][N+](=O)c1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1 Show InChI InChI=1S/C21H15N5O3S2/c27-19(24-25-21(30)22-15-4-3-5-16(12-15)26(28)29)13-8-10-14(11-9-13)20-23-17-6-1-2-7-18(17)31-20/h1-12H,(H,24,27)(H2,22,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50160574 (CHEMBL3785548) Show SMILES Clc1ccc(Nc2nnc(s2)-c2ccccc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3S/c15-11-7-6-10(8-12(11)16)17-14-19-18-13(20-14)9-4-2-1-3-5-9/h1-8H,(H,17,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181086 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(3-fluorophe...) Show SMILES Fc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1 Show InChI InChI=1S/C21H15FN4OS2/c22-15-4-3-5-16(12-15)23-21(28)26-25-19(27)13-8-10-14(11-9-13)20-24-17-6-1-2-7-18(17)29-20/h1-12H,(H,25,27)(H2,23,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129747 (CHEMBL3629075) Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C26H20N6O4S4/c33-31(34)19-13-9-17(10-14-19)27-25(37)29-21-5-1-3-7-23(21)39-40-24-8-4-2-6-22(24)30-26(38)28-18-11-15-20(16-12-18)32(35)36/h1-16H,(H2,27,29,37)(H2,28,30,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181078 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(2-bromophen...) Show SMILES Brc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C21H15BrN4OS2/c22-15-5-1-2-6-16(15)24-21(28)26-25-19(27)13-9-11-14(12-10-13)20-23-17-7-3-4-8-18(17)29-20/h1-12H,(H,25,27)(H2,24,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50160570 (CHEMBL3787019) Show SMILES Clc1ccc(Nc2nnc(s2)-c2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C14H8BrCl2N3S/c15-9-3-1-8(2-4-9)13-19-20-14(21-13)18-10-5-6-11(16)12(17)7-10/h1-7H,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181075 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(o-tolyl)hyd...) Show SMILES Cc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C22H18N4OS2/c1-14-6-2-3-7-17(14)24-22(28)26-25-20(27)15-10-12-16(13-11-15)21-23-18-8-4-5-9-19(18)29-21/h2-13H,1H3,(H,25,27)(H2,24,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50160576 (CHEMBL3787541) Show SMILES Clc1ccccc1-c1nnc(Nc2cccc(Br)c2)s1 Show InChI InChI=1S/C14H9BrClN3S/c15-9-4-3-5-10(8-9)17-14-19-18-13(20-14)11-6-1-2-7-12(11)16/h1-8H,(H,17,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glu...				Bioorg Med Chem 24: 1909-18 (2016) Article DOI: 10.1016/j.bmc.2016.03.020 BindingDB Entry DOI: 10.7270/Q28917RB
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129743 (CHEMBL3629079) Show SMILES Brc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(Br)c2)c1 Show InChI InChI=1S/C26H20Br2N4S4/c27-17-7-5-9-19(15-17)29-25(33)31-21-11-1-3-13-23(21)35-36-24-14-4-2-12-22(24)32-26(34)30-20-10-6-8-18(28)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	1.03E+4	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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181079 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(p-tolyl)hyd...) Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C22H18N4OS2/c1-14-6-12-17(13-7-14)23-22(28)26-25-20(27)15-8-10-16(11-9-15)21-24-18-4-2-3-5-19(18)29-21/h2-13H,1H3,(H,25,27)(H2,23,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM181087 (4-(1,3-benzothiazol-2-yl)-N-{[(3-bromophenyl)carba...) Show SMILES Brc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1 Show InChI InChI=1S/C21H15BrN4OS2/c22-15-4-3-5-16(12-15)23-21(28)26-25-19(27)13-8-10-14(11-9-13)20-24-17-6-1-2-7-18(17)29-20/h1-12H,(H,25,27)(H2,23,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50129741 (CHEMBL3629081) Show SMILES [O-][N+](=O)c1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C26H20N6O4S4/c33-31(34)19-9-5-7-17(15-19)27-25(37)29-21-11-1-3-13-23(21)39-40-24-14-4-2-12-22(24)30-26(38)28-18-8-6-10-20(16-18)32(35)36/h1-16H,(H2,27,29,37)(H2,28,30,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	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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