Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'rehman' and Initial = 'w'   

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
Cholinesterase (Homo sapiens (Human))	BDBM11023 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM11023 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					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
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM152497 ((E)-N'-(6-Bromo-2-oxoindolin-3-ylidene)-2-(2,4...) Show SMILES Clc1ccc(CC(=O)N\N=C2\C(=O)Nc3cc(Br)ccc23)c(Cl)c1 Show InChI InChI=1S/C16H10BrCl2N3O2/c17-9-2-4-11-13(6-9)20-16(24)15(11)22-21-14(23)5-8-1-3-10(18)7-12(8)19/h1-4,6-7H,5H2,(H,21,23)(H,20,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hazara University					Assay Description 10 µL of test samples (5 mg/mL DMSO solution) were reconstituted in 100 µL of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...				Bioorg Chem 60: 42-8 (2015) Article DOI: 10.1016/j.bioorg.2015.03.005 BindingDB Entry DOI: 10.7270/Q2DR2T7R
					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
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150768 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(3-h...) Show SMILES Oc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H12N4O2S/c22-11-5-3-4-10(8-11)14(23)9-24-17-19-16-15(20-21-17)12-6-1-2-7-13(12)18-16/h1-8,22H,9H2,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM152499 ((E)-N'-(2-oxoindolin-3-ylidene)dodecanehydrazi...) Show SMILES CCCCCCCCCCCC(=O)N\N=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C20H29N3O2/c1-2-3-4-5-6-7-8-9-10-15-18(24)22-23-19-16-13-11-12-14-17(16)21-20(19)25/h11-14H,2-10,15H2,1H3,(H,22,24)(H,21,23,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hazara University					Assay Description 10 µL of test samples (5 mg/mL DMSO solution) were reconstituted in 100 µL of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...				Bioorg Chem 60: 42-8 (2015) Article DOI: 10.1016/j.bioorg.2015.03.005 BindingDB Entry DOI: 10.7270/Q2DR2T7R
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM152496 ((E)-N'-(6-bromo-2-oxoindolin-3-ylidene)-2-(3,4...) Show SMILES Clc1ccc(CC(=O)N\N=C2\C(=O)Nc3cc(Br)ccc23)cc1Cl Show InChI InChI=1S/C16H10BrCl2N3O2/c17-9-2-3-10-13(7-9)20-16(24)15(10)22-21-14(23)6-8-1-4-11(18)12(19)5-8/h1-5,7H,6H2,(H,21,23)(H,20,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hazara University					Assay Description 10 µL of test samples (5 mg/mL DMSO solution) were reconstituted in 100 µL of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...				Bioorg Chem 60: 42-8 (2015) Article DOI: 10.1016/j.bioorg.2015.03.005 BindingDB Entry DOI: 10.7270/Q2DR2T7R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM193681 ((Z)-N'-(anthracen-10-ylmethylene)-2-hydroxyben...) Show SMILES Oc1ccccc1C(=O)N\N=C/c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C22H16N2O2/c25-21-12-6-5-11-19(21)22(26)24-23-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14,25H,(H,24,26)/b23-14-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					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
Cholinesterase (Homo sapiens (Human))	BDBM193684 (N'-{(Z)-[4-(tert-butyl)phenyl]methylidene}-2-h...) Show SMILES CC(C)(C)c1ccc(\C=N/NC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C18H20N2O2/c1-18(2,3)14-10-8-13(9-11-14)12-19-20-17(22)15-6-4-5-7-16(15)21/h4-12,21H,1-3H3,(H,20,22)/b19-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.51E+3	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					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
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM193674 (N'-{(Z)-[4-(benzyloxy)phenyl]methylidene}-2-hy...) Show SMILES Oc1ccccc1C(=O)N\N=C/c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O3/c24-20-9-5-4-8-19(20)21(25)23-22-14-16-10-12-18(13-11-16)26-15-17-6-2-1-3-7-17/h1-14,24H,15H2,(H,23,25)/b22-14-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.12E+3	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM193695 (N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylid...) Show SMILES Oc1ccccc1C(=O)N\N=C/c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C14H10Cl2N2O3/c15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,18,21)/b17-7-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					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
Cholinesterase (Homo sapiens (Human))	BDBM193695 (N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylid...) Show SMILES Oc1ccccc1C(=O)N\N=C/c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C14H10Cl2N2O3/c15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,18,21)/b17-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.22E+3	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					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
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM152498 ((E)-N'-(6-bromo-2-oxoindolin-3-ylidene)-2- hyd...) Show SMILES Oc1ccccc1C(=O)N\N=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C15H10BrN3O3/c16-8-5-6-9-11(7-8)17-15(22)13(9)18-19-14(21)10-3-1-2-4-12(10)20/h1-7,20H,(H,19,21)(H,17,18,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hazara University					Assay Description 10 µL of test samples (5 mg/mL DMSO solution) were reconstituted in 100 µL of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...				Bioorg Chem 60: 42-8 (2015) Article DOI: 10.1016/j.bioorg.2015.03.005 BindingDB Entry DOI: 10.7270/Q2DR2T7R
					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
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM193678 (N0-[(Z)-(4-butoxyphenyl)methylidene]-2-hydroxybenz...) Show SMILES CCCCOc1ccc(\C=N/NC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C18H20N2O3/c1-2-3-12-23-15-10-8-14(9-11-15)13-19-20-18(22)16-6-4-5-7-17(16)21/h4-11,13,21H,2-3,12H2,1H3,(H,20,22)/b19-13-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM193677 (N'-[(Z)-(2,4-dichlorophenyl)methylidene]-2-hyd...) Show SMILES Oc1ccccc1C(=O)N\N=C/c1ccc(Cl)cc1Cl Show InChI InChI=1S/C14H10Cl2N2O2/c15-10-6-5-9(12(16)7-10)8-17-18-14(20)11-3-1-2-4-13(11)19/h1-8,19H,(H,18,20)/b17-8-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM152619 ((E)-2,6-Di-t-butyl-4-((2-(4-(4-Chlorophenyl)thiazo...) Show SMILES CC(C)(C)c1cc(\C=N\Nc2nc(cs2)-c2ccc(Cl)cc2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C24H28ClN3OS/c1-23(2,3)18-11-15(12-19(21(18)29)24(4,5)6)13-26-28-22-27-20(14-30-22)16-7-9-17(25)10-8-16/h7-14,29H,1-6H3,(H,27,28)/b26-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	6.8	n/a
Hazara University					Assay Description Total volume of 100 µL reaction mixture contained 70 µL 50 mM phosphate buffer pH 6.8, 10 µL test compound (0.5 mM in methanol) followed by the addit...				Bioorg Chem 62: 15-21 (2015) Article DOI: 10.1016/j.bioorg.2015.06.006 BindingDB Entry DOI: 10.7270/Q24B302B
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM152494 ((E)-2-(2,4-dichlorophenyl)-N'-(2-oxo-1-propyli...) Show SMILES CCCN1C(=O)\C(=N\NC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12 Show InChI InChI=1S/C19H17Cl2N3O2/c1-2-9-24-16-6-4-3-5-14(16)18(19(24)26)23-22-17(25)10-12-7-8-13(20)11-15(12)21/h3-8,11H,2,9-10H2,1H3,(H,22,25)/b23-18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hazara University					Assay Description 10 µL of test samples (5 mg/mL DMSO solution) were reconstituted in 100 µL of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...				Bioorg Chem 60: 42-8 (2015) Article DOI: 10.1016/j.bioorg.2015.03.005 BindingDB Entry DOI: 10.7270/Q2DR2T7R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM193688 (N'-[(Z)-(3-bromo-4-methoxyphenyl)methylidene]-...) Show SMILES COc1ccc(\C=N/NC(=O)c2ccccc2O)cc1Br Show InChI InChI=1S/C15H13BrN2O3/c1-21-14-7-6-10(8-12(14)16)9-17-18-15(20)11-4-2-3-5-13(11)19/h2-9,19H,1H3,(H,18,20)/b17-9-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM50229993 (2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...) Show SMILES NC(N)=S Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173592 ((E)-2-((E)-(3,5-Dichloro-2-hydroxybenzylidene)hydr...) Show SMILES Oc1c(Cl)cc(Cl)cc1\C=N\N=C1/NC(=O)CS1 Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)/b13-3+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173589 ((E)-2((E)-(4-Nitrobenzylidene)hydrazono)thiazolidi...) Show SMILES [O-][N+](=O)c1ccc(\C=N\N=C2/NC(=O)CS2)cc1 Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-1-3-8(4-2-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150771 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(4-m...) Show SMILES COc1ccc(cc1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C18H14N4O2S/c1-24-12-8-6-11(7-9-12)15(23)10-25-18-20-17-16(21-22-18)13-4-2-3-5-14(13)19-17/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173594 ((E)-2((E)-(3-Bromo-4,5-dimethoxybenzylidene)hydraz...) Show SMILES COc1cc(\C=N\N=C2/NC(=O)CS2)cc(Br)c1OC Show InChI InChI=1S/C12H12BrN3O3S/c1-18-9-4-7(3-8(13)11(9)19-2)5-14-16-12-15-10(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)/b14-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM152618 ((E)-2-(2-(4-(Benzyloxy)benzylidene)hydrazinyl)-4-(...) Show SMILES Clc1ccc(cc1)-c1csc(N\N=C\c2ccc(OCc3ccccc3)cc2)n1 Show InChI InChI=1S/C23H18ClN3OS/c24-20-10-8-19(9-11-20)22-16-29-23(26-22)27-25-14-17-6-12-21(13-7-17)28-15-18-4-2-1-3-5-18/h1-14,16H,15H2,(H,26,27)/b25-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a	6.8	n/a
Hazara University					Assay Description Total volume of 100 µL reaction mixture contained 70 µL 50 mM phosphate buffer pH 6.8, 10 µL test compound (0.5 mM in methanol) followed by the addit...				Bioorg Chem 62: 15-21 (2015) Article DOI: 10.1016/j.bioorg.2015.06.006 BindingDB Entry DOI: 10.7270/Q24B302B
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150775 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-phen...) Show SMILES CC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150778 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(3-b...) Show SMILES Brc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H11BrN4OS/c18-11-5-3-4-10(8-11)14(23)9-24-17-20-16-15(21-22-17)12-6-1-2-7-13(12)19-16/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150774 (3-(2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acet...) Show SMILES O=C(CSc1nnc2c(n1)[nH]c1ccccc21)c1cc2ccccc2oc1=O Show InChI InChI=1S/C20H12N4O3S/c25-15(13-9-11-5-1-4-8-16(11)27-19(13)26)10-28-20-22-18-17(23-24-20)12-6-2-3-7-14(12)21-18/h1-9H,10H2,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150770 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(4-b...) Show SMILES Brc1ccc(cc1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H11BrN4OS/c18-11-7-5-10(6-8-11)14(23)9-24-17-20-16-15(21-22-17)12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM193674 (N'-{(Z)-[4-(benzyloxy)phenyl]methylidene}-2-hy...) Show SMILES Oc1ccccc1C(=O)N\N=C/c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O3/c24-20-9-5-4-8-19(20)21(25)23-22-14-16-10-12-18(13-11-16)26-15-17-6-2-1-3-7-17/h1-14,24H,15H2,(H,23,25)/b22-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173596 ((E)-2-((E)-(4-Hyrazoxy-3,5-dimethoxybenzylidene)hy...) Show SMILES COc1cc(\C=N\N=C2/NC(=O)CS2)cc(OC)c1O Show InChI InChI=1S/C12H15N5O4S/c1-19-8-3-7(4-9(20-2)11(8)21-17-13)5-14-16-12-15-10(18)6-22-12/h3-5,17H,6,13H2,1-2H3,(H,15,16,18)/b14-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.79E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150772 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(3-f...) Show SMILES Fc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H11FN4OS/c18-11-5-3-4-10(8-11)14(23)9-24-17-20-16-15(21-22-17)12-6-1-2-7-13(12)19-16/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50333465 ((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...) Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37| Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	6.8	n/a
Hazara University					Assay Description Total volume of 100 µL reaction mixture contained 70 µL 50 mM phosphate buffer pH 6.8, 10 µL test compound (0.5 mM in methanol) followed by the addit...				Bioorg Chem 62: 15-21 (2015) Article DOI: 10.1016/j.bioorg.2015.06.006 BindingDB Entry DOI: 10.7270/Q24B302B
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50333465 ((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...) Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37| Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	6.8	n/a
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM193688 (N'-[(Z)-(3-bromo-4-methoxyphenyl)methylidene]-...) Show SMILES COc1ccc(\C=N/NC(=O)c2ccccc2O)cc1Br Show InChI InChI=1S/C15H13BrN2O3/c1-21-14-7-6-10(8-12(14)16)9-17-18-15(20)11-4-2-3-5-13(11)19/h2-9,19H,1H3,(H,18,20)/b17-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173600 ((E)-2-((E)-(4-(Benzyloxy)benzylidene)hydrazono)thi...) Show SMILES O=Cc1ccc(\C=N\N=C2/NC(=O)CS2)cc1 Show InChI InChI=1S/C17H15N3O2S/c21-16-12-23-17(19-16)20-18-10-13-6-8-15(9-7-13)22-11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,19,20,21)/b18-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.92E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM193683 (2-Hydroxy-N'-[(Z)-(4-isopropylphenyl)methylide...) Show SMILES CC(C)c1ccc(\C=N/NC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C17H18N2O2/c1-12(2)14-9-7-13(8-10-14)11-18-19-17(21)15-5-3-4-6-16(15)20/h3-12,20H,1-2H3,(H,19,21)/b18-11-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM193678 (N0-[(Z)-(4-butoxyphenyl)methylidene]-2-hydroxybenz...) Show SMILES CCCCOc1ccc(\C=N/NC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C18H20N2O3/c1-2-3-12-23-15-10-8-14(9-11-15)13-19-20-18(22)16-6-4-5-7-17(16)21/h4-11,13,21H,2-3,12H2,1H3,(H,20,22)/b19-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.18E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM193677 (N'-[(Z)-(2,4-dichlorophenyl)methylidene]-2-hyd...) Show SMILES Oc1ccccc1C(=O)N\N=C/c1ccc(Cl)cc1Cl Show InChI InChI=1S/C14H10Cl2N2O2/c15-10-6-5-9(12(16)7-10)8-17-18-14(20)11-3-1-2-4-13(11)19/h1-8,19H,(H,18,20)/b17-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM152613 ((E)-2-(2-(1-(2-Bromo-4-nitrophenyl)ethylidene)hydr...) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1ccc(cc1Br)[N+]([O-])=O Show InChI InChI=1S/C17H12BrClN4O2S/c1-10(14-7-6-13(23(24)25)8-15(14)18)21-22-17-20-16(9-26-17)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,20,22)/b21-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.33E+4	n/a	n/a	n/a	n/a	6.8	n/a
Hazara University					Assay Description Total volume of 100 µL reaction mixture contained 70 µL 50 mM phosphate buffer pH 6.8, 10 µL test compound (0.5 mM in methanol) followed by the addit...				Bioorg Chem 62: 15-21 (2015) Article DOI: 10.1016/j.bioorg.2015.06.006 BindingDB Entry DOI: 10.7270/Q24B302B
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173601 ((2Z)-2,20(Z)-(1,4-Phenylenebis(methane-1-yl-yliden...) Show SMILES Cc1ccc(\C=N/N=C2\NC(=O)CS2)cc1 Show InChI InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)6-12-14-11-13-10(15)7-16-11/h2-6H,7H2,1H3,(H,13,14,15)/b12-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.39E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM152632 ((E)-4-((2-(4-(4-Methoxyphenyl)thiazol-2-yl)hydrazo...) Show SMILES COc1ccc(cc1)-c1csc(N\N=C\c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C17H15N3O3S/c1-23-13-5-3-12(4-6-13)14-10-24-17(19-14)20-18-9-11-2-7-15(21)16(22)8-11/h2-10,21-22H,1H3,(H,19,20)/b18-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	6.8	n/a
Hazara University					Assay Description Total volume of 100 µL reaction mixture contained 70 µL 50 mM phosphate buffer pH 6.8, 10 µL test compound (0.5 mM in methanol) followed by the addit...				Bioorg Chem 62: 15-21 (2015) Article DOI: 10.1016/j.bioorg.2015.06.006 BindingDB Entry DOI: 10.7270/Q24B302B
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173588 ((E)-2-((E)-(2-Nitrobenzylidene)hydrazono)thiazolid...) Show SMILES [O-][N+](=O)c1ccccc1\C=N\N=C1/NC(=O)CS1 Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-3-1-2-4-8(7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+4	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM193689 (2-Hydroxy-N'-{(Z)-[4-(trifluoromethyl)phenyl]m...) Show SMILES Oc1ccccc1C(=O)N\N=C/c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O2/c16-15(17,18)11-7-5-10(6-8-11)9-19-20-14(22)12-3-1-2-4-13(12)21/h1-9,21H,(H,20,22)/b19-9-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.85E+4	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
					More data for this Ligand-Target Pair

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