Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'khan' and Initial = 'iu'   

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
Acetylcholinesterase (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt 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
GC University					Assay Description The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
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	850	n/a	n/a	n/a	n/a	7.7	n/a
GC University					Assay Description The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
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	850	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175305 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES Cc1cc(ccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)-c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1 Show InChI InChI=1S/C40H36N2O4S2/c1-31-27-35(23-25-39(31)41(29-33-15-7-3-8-16-33)47(43,44)37-19-11-5-12-20-37)36-24-26-40(32(2)28-36)42(30-34-17-9-4-10-18-34)48(45,46)38-21-13-6-14-22-38/h3-28H,29-30H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175304 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCCCCCCCCCCCCCN(c1ccc(cc1C)-c1ccc(N(CCCCCCCCCCCCCCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C58H88N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-37-47-59(65(61,62)55-39-33-31-34-40-55)57-45-43-53(49-51(57)3)54-44-46-58(52(4)50-54)60(66(63,64)56-41-35-32-36-42-56)48-38-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-36,39-46,49-50H,5-30,37-38,47-48H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175300 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCN(c1ccc(cc1C)-c1ccc(N(CCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C34H40N2O4S2/c1-5-7-23-35(41(37,38)31-15-11-9-12-16-31)33-21-19-29(25-27(33)3)30-20-22-34(28(4)26-30)36(24-8-6-2)42(39,40)32-17-13-10-14-18-32/h9-22,25-26H,5-8,23-24H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175296 (N,N’-(biphenyl-4,4’-diyl)bis(N-hexadecyl...) Show SMILES CCCCCCCCCCCCCCCCN(c1ccc(cc1)-c1ccc(cc1)N(CCCCCCCCCCCCCCCC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C56H84N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35-49-57(63(59,60)55-37-31-29-32-38-55)53-45-41-51(42-46-53)52-43-47-54(48-44-52)58(64(61,62)56-39-33-30-34-40-56)50-36-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-34,37-48H,3-28,35-36,49-50H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175296 (N,N’-(biphenyl-4,4’-diyl)bis(N-hexadecyl...) Show SMILES CCCCCCCCCCCCCCCCN(c1ccc(cc1)-c1ccc(cc1)N(CCCCCCCCCCCCCCCC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C56H84N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35-49-57(63(59,60)55-37-31-29-32-38-55)53-45-41-51(42-46-53)52-43-47-54(48-44-52)58(64(61,62)56-39-33-30-34-40-56)50-36-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-34,37-48H,3-28,35-36,49-50H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.74E+3	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175292 (N,N'-(biphenyl-4,4'-diyl)bis(N-butylbenzen...) Show SMILES CCCCN(c1ccc(cc1)-c1ccc(cc1)N(CCCC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H36N2O4S2/c1-3-5-25-33(39(35,36)31-13-9-7-10-14-31)29-21-17-27(18-22-29)28-19-23-30(24-20-28)34(26-6-4-2)40(37,38)32-15-11-8-12-16-32/h7-24H,3-6,25-26H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173580 (N',N'',N'''-(pyridine-2,4,...) Show SMILES CS(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(C)(=O)=O)C(=O)NNS(C)(=O)=O Show InChI InChI=1S/C11H17N7O9S3/c1-28(22,23)16-13-9(19)6-4-7(10(20)14-17-29(2,24)25)12-8(5-6)11(21)15-18-30(3,26)27/h4-5,16-18H,1-3H3,(H,13,19)(H,14,20)(H,15,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	7.7	n/a
GC University					Assay Description The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175300 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCN(c1ccc(cc1C)-c1ccc(N(CCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C34H40N2O4S2/c1-5-7-23-35(41(37,38)31-15-11-9-12-16-31)33-21-19-29(25-27(33)3)30-20-22-34(28(4)26-30)36(24-8-6-2)42(39,40)32-17-13-10-14-18-32/h9-22,25-26H,5-8,23-24H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175304 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCCCCCCCCCCCCCN(c1ccc(cc1C)-c1ccc(N(CCCCCCCCCCCCCCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C58H88N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-37-47-59(65(61,62)55-39-33-31-34-40-55)57-45-43-53(49-51(57)3)54-44-46-58(52(4)50-54)60(66(63,64)56-41-35-32-36-42-56)48-38-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-36,39-46,49-50H,5-30,37-38,47-48H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173576 (N',N'',N'''-(pyridine-2,4,...) Show SMILES Fc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(F)cc1)C(=O)NNS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H20F3N7O9S3/c27-16-1-7-19(8-2-16)46(40,41)34-31-24(37)15-13-22(25(38)32-35-47(42,43)20-9-3-17(28)4-10-20)30-23(14-15)26(39)33-36-48(44,45)21-11-5-18(29)6-12-21/h1-14,34-36H,(H,31,37)(H,32,38)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	6.8	n/a
GC University					Assay Description The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 µL reaction mixture conta...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173575 (N',N'',N'''-(pyridine-2,4,...) Show SMILES Brc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C26H20Br3N7O9S3/c27-16-1-7-19(8-2-16)46(40,41)34-31-24(37)15-13-22(25(38)32-35-47(42,43)20-9-3-17(28)4-10-20)30-23(14-15)26(39)33-36-48(44,45)21-11-5-18(29)6-12-21/h1-14,34-36H,(H,31,37)(H,32,38)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	6.8	n/a
GC University					Assay Description The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 µL reaction mixture conta...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173577 (N',N'',N'''-(pyridine-2,4,...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H20Cl3N7O9S3/c27-16-1-7-19(8-2-16)46(40,41)34-31-24(37)15-13-22(25(38)32-35-47(42,43)20-9-3-17(28)4-10-20)30-23(14-15)26(39)33-36-48(44,45)21-11-5-18(29)6-12-21/h1-14,34-36H,(H,31,37)(H,32,38)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	6.8	n/a
GC University					Assay Description The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 µL reaction mixture conta...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173581 (N',N'',N'''-(pyridine-2,4,...) Show SMILES CCS(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)CC)C(=O)NNS(=O)(=O)CC Show InChI InChI=1S/C14H23N7O9S3/c1-4-31(25,26)19-16-12(22)9-7-10(13(23)17-20-32(27,28)5-2)15-11(8-9)14(24)18-21-33(29,30)6-3/h7-8,19-21H,4-6H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+4	n/a	n/a	n/a	n/a	7.7	n/a
GC University					Assay Description The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175305 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES Cc1cc(ccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)-c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1 Show InChI InChI=1S/C40H36N2O4S2/c1-31-27-35(23-25-39(31)41(29-33-15-7-3-8-16-33)47(43,44)37-19-11-5-12-20-37)36-24-26-40(32(2)28-36)42(30-34-17-9-4-10-18-34)48(45,46)38-21-13-6-14-22-38/h3-28H,29-30H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173574 (N',N'',N'''-(pyridine-2,4,...) Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccccc1)C(=O)NNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H23N7O9S3/c34-24(28-31-43(37,38)19-10-4-1-5-11-19)18-16-22(25(35)29-32-44(39,40)20-12-6-2-7-13-20)27-23(17-18)26(36)30-33-45(41,42)21-14-8-3-9-15-21/h1-17,31-33H,(H,28,34)(H,29,35)(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	6.8	n/a
GC University					Assay Description The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 µL reaction mixture conta...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175297 (N,N'-(biphenyl-4,4'-diyl)bis(N-benzylbenze...) Show SMILES O=S(=O)(N(Cc1ccccc1)c1ccc(cc1)-c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C38H32N2O4S2/c41-45(42,37-17-9-3-10-18-37)39(29-31-13-5-1-6-14-31)35-25-21-33(22-26-35)34-23-27-36(28-24-34)40(30-32-15-7-2-8-16-32)46(43,44)38-19-11-4-12-20-38/h1-28H,29-30H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.58E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	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	Reactome pathway KEGG UniProtKB/SwissProt 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	37
COMSATS Institute of Information Technology, Lahore 54000, Pakistan					Assay Description Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...				Bioorg Chem 54: 96-104 (2014) Article DOI: 10.1016/j.bioorg.2014.05.003 BindingDB Entry DOI: 10.7270/Q2NG4P8Q
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM23406 ((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...) 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)OC(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 |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 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
GC University					Assay Description The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 µL reaction mixture conta...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175288 (N,N'-(biphenyl-4,4'-diyl)dibenzenesulfonam...) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C24H20N2O4S2/c27-31(28,23-7-3-1-4-8-23)25-21-15-11-19(12-16-21)20-13-17-22(18-14-20)26-32(29,30)24-9-5-2-6-10-24/h1-18,25-26H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.23E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175303 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCCCCN(c1ccc(cc1C)-c1ccc(N(CCCCCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C40H52N2O4S2/c1-5-7-9-11-19-29-41(47(43,44)37-21-15-13-16-22-37)39-27-25-35(31-33(39)3)36-26-28-40(34(4)32-36)42(30-20-12-10-8-6-2)48(45,46)38-23-17-14-18-24-38/h13-18,21-28,31-32H,5-12,19-20,29-30H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM173574 (N',N'',N'''-(pyridine-2,4,...) Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccccc1)C(=O)NNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H23N7O9S3/c34-24(28-31-43(37,38)19-10-4-1-5-11-19)18-16-22(25(35)29-32-44(39,40)20-12-6-2-7-13-20)27-23(17-18)26(36)30-33-45(41,42)21-14-8-3-9-15-21/h1-17,31-33H,(H,28,34)(H,29,35)(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.38E+4	n/a	n/a	n/a	n/a	7.7	n/a
GC University					Assay Description The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM173580 (N',N'',N'''-(pyridine-2,4,...) Show SMILES CS(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(C)(=O)=O)C(=O)NNS(C)(=O)=O Show InChI InChI=1S/C11H17N7O9S3/c1-28(22,23)16-13-9(19)6-4-7(10(20)14-17-29(2,24)25)12-8(5-6)11(21)15-18-30(3,26)27/h4-5,16-18H,1-3H3,(H,13,19)(H,14,20)(H,15,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.48E+4	n/a	n/a	n/a	n/a	7.7	n/a
GC University					Assay Description The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175303 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCCCCN(c1ccc(cc1C)-c1ccc(N(CCCCCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C40H52N2O4S2/c1-5-7-9-11-19-29-41(47(43,44)37-21-15-13-16-22-37)39-27-25-35(31-33(39)3)36-26-28-40(34(4)32-36)42(30-20-12-10-8-6-2)48(45,46)38-23-17-14-18-24-38/h13-18,21-28,31-32H,5-12,19-20,29-30H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.87E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175302 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCCCN(c1ccc(cc1C)-c1ccc(N(CCCCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C38H48N2O4S2/c1-5-7-9-17-27-39(45(41,42)35-19-13-11-14-20-35)37-25-23-33(29-31(37)3)34-24-26-38(32(4)30-34)40(28-18-10-8-6-2)46(43,44)36-21-15-12-16-22-36/h11-16,19-26,29-30H,5-10,17-18,27-28H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.96E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173574 (N',N'',N'''-(pyridine-2,4,...) Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccccc1)C(=O)NNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H23N7O9S3/c34-24(28-31-43(37,38)19-10-4-1-5-11-19)18-16-22(25(35)29-32-44(39,40)20-12-6-2-7-13-20)27-23(17-18)26(36)30-33-45(41,42)21-14-8-3-9-15-21/h1-17,31-33H,(H,28,34)(H,29,35)(H,30,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.02E+4	n/a	n/a	n/a	n/a	7.7	n/a
GC University					Assay Description The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175301 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCCN(c1ccc(cc1C)-c1ccc(N(CCCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C36H44N2O4S2/c1-5-7-15-25-37(43(39,40)33-17-11-9-12-18-33)35-23-21-31(27-29(35)3)32-22-24-36(30(4)28-32)38(26-16-8-6-2)44(41,42)34-19-13-10-14-20-34/h9-14,17-24,27-28H,5-8,15-16,25-26H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.12E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175295 (N,N'-(biphenyl-4,4'-diyl)bis(N-heptylbenze...) Show SMILES CCCCCCCN(c1ccc(cc1)-c1ccc(cc1)N(CCCCCCC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C38H48N2O4S2/c1-3-5-7-9-17-31-39(45(41,42)37-19-13-11-14-20-37)35-27-23-33(24-28-35)34-25-29-36(30-26-34)40(32-18-10-8-6-4-2)46(43,44)38-21-15-12-16-22-38/h11-16,19-30H,3-10,17-18,31-32H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.86E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175297 (N,N'-(biphenyl-4,4'-diyl)bis(N-benzylbenze...) Show SMILES O=S(=O)(N(Cc1ccccc1)c1ccc(cc1)-c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C38H32N2O4S2/c41-45(42,37-17-9-3-10-18-37)39(29-31-13-5-1-6-14-31)35-25-21-33(22-26-35)34-23-27-36(28-24-34)40(30-32-15-7-2-8-16-32)46(43,44)38-19-11-4-12-20-38/h1-28H,29-30H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.16E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175291 (N,N'-(biphenyl-4,4'-diyl)bis(N-isopropylbe...) Show SMILES CC(C)N(c1ccc(cc1)-c1ccc(cc1)N(C(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H32N2O4S2/c1-23(2)31(37(33,34)29-11-7-5-8-12-29)27-19-15-25(16-20-27)26-17-21-28(22-18-26)32(24(3)4)38(35,36)30-13-9-6-10-14-30/h5-24H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.32E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175294 (N,N'-(biphenyl-4,4'-diyl)bis(N-hexylbenzen...) Show SMILES CCCCCCN(c1ccc(cc1)-c1ccc(cc1)N(CCCCCC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C36H44N2O4S2/c1-3-5-7-15-29-37(43(39,40)35-17-11-9-12-18-35)33-25-21-31(22-26-33)32-23-27-34(28-24-32)38(30-16-8-6-4-2)44(41,42)36-19-13-10-14-20-36/h9-14,17-28H,3-8,15-16,29-30H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.86E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175293 (N,N'-(biphenyl-4,4'-diyl)bis(N-pentylbenze...) Show SMILES CCCCCN(c1ccc(cc1)-c1ccc(cc1)N(CCCCC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C34H40N2O4S2/c1-3-5-13-27-35(41(37,38)33-15-9-7-10-16-33)31-23-19-29(20-24-31)30-21-25-32(26-22-30)36(28-14-6-4-2)42(39,40)34-17-11-8-12-18-34/h7-12,15-26H,3-6,13-14,27-28H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.96E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175298 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CC(=O)N(c1ccc(cc1C)-c1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H28N2O6S2/c1-21-19-25(15-17-29(21)31(23(3)33)39(35,36)27-11-7-5-8-12-27)26-16-18-30(22(2)20-26)32(24(4)34)40(37,38)28-13-9-6-10-14-28/h5-20H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.63E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175299 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CC(C)N(c1ccc(cc1C)-c1ccc(N(C(C)C)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H36N2O4S2/c1-23(2)33(39(35,36)29-13-9-7-10-14-29)31-19-17-27(21-25(31)5)28-18-20-32(26(6)22-28)34(24(3)4)40(37,38)30-15-11-8-12-16-30/h7-24H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175290 (N,N'-(biphenyl-4,4'-diyl)bis(N-(phenylsulf...) Show SMILES CC(=O)N(c1ccc(cc1)-c1ccc(cc1)N(C(C)=O)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H24N2O6S2/c1-21(31)29(37(33,34)27-9-5-3-6-10-27)25-17-13-23(14-18-25)24-15-19-26(20-16-24)30(22(2)32)38(35,36)28-11-7-4-8-12-28/h3-20H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM173581 (N',N'',N'''-(pyridine-2,4,...) Show SMILES CCS(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)CC)C(=O)NNS(=O)(=O)CC Show InChI InChI=1S/C14H23N7O9S3/c1-4-31(25,26)19-16-12(22)9-7-10(13(23)17-20-32(27,28)5-2)15-11(8-9)14(24)18-21-33(29,30)6-3/h7-8,19-21H,4-6H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	7.7	n/a
GC University					Assay Description The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM112646 (Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4- t...) Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(C)cc1 |c:10| Show InChI InChI=1S/C15H18N2O3/c1-4-20-14(18)12-10(3)16-15(19)17-13(12)11-7-5-9(2)6-8-11/h5-8,12-13H,4H2,1-3H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	6.8	37
COMSATS Institute of Information Technology, Lahore 54000, Pakistan					Assay Description Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...				Bioorg Chem 54: 96-104 (2014) Article DOI: 10.1016/j.bioorg.2014.05.003 BindingDB Entry DOI: 10.7270/Q2NG4P8Q
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM112652 ((±)2,6-Methano-4-oxo-3,4,5,6-tetrahydro-2H- [1,3,5...) Show SMILES CCOC(=O)[C@H]1[C@@H]2NC(=O)NC1(C)Oc1ccccc21 |r,TLB:9:8:5:19.14.13| Show InChI InChI=1S/C14H16N2O4/c1-3-19-12(17)10-11-8-6-4-5-7-9(8)20-14(10,2)16-13(18)15-11/h4-7,10-11H,3H2,1-2H3,(H2,15,16,18)/t10-,11-,14?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	6.8	37
COMSATS Institute of Information Technology, Lahore 54000, Pakistan					Assay Description Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...				Bioorg Chem 54: 96-104 (2014) Article DOI: 10.1016/j.bioorg.2014.05.003 BindingDB Entry DOI: 10.7270/Q2NG4P8Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM175289 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES Cc1cc(ccc1NS(=O)(=O)c1ccccc1)-c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 Show InChI InChI=1S/C26H24N2O4S2/c1-19-17-21(13-15-25(19)27-33(29,30)23-9-5-3-6-10-23)22-14-16-26(20(2)18-22)28-34(31,32)24-11-7-4-8-12-24/h3-18,27-28H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175292 (N,N'-(biphenyl-4,4'-diyl)bis(N-butylbenzen...) Show SMILES CCCCN(c1ccc(cc1)-c1ccc(cc1)N(CCCC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H36N2O4S2/c1-3-5-25-33(39(35,36)31-13-9-7-10-14-31)29-21-17-27(18-22-29)28-19-23-30(24-20-28)34(26-6-4-2)40(37,38)32-15-11-8-12-16-32/h7-24H,3-6,25-26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM112651 (Ethyl 6-methyl-4-(4-methylphenyl)-2-thioxo-1,2,3,4...) Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1ccc(C)cc1 |c:10| Show InChI InChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(3)16-15(20)17-13(12)11-7-5-9(2)6-8-11/h5-8,12-13H,4H2,1-3H3,(H,17,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	6.8	37
COMSATS Institute of Information Technology, Lahore 54000, Pakistan					Assay Description Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...				Bioorg Chem 54: 96-104 (2014) Article DOI: 10.1016/j.bioorg.2014.05.003 BindingDB Entry DOI: 10.7270/Q2NG4P8Q
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173578 (N',N'',N'''-(pyridine-2,4,...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(C)cc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C29H29N7O9S3/c1-18-4-10-22(11-5-18)46(40,41)34-31-27(37)21-16-25(28(38)32-35-47(42,43)23-12-6-19(2)7-13-23)30-26(17-21)29(39)33-36-48(44,45)24-14-8-20(3)9-15-24/h4-17,34-36H,1-3H3,(H,31,37)(H,32,38)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	6.8	n/a
GC University					Assay Description The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 µL reaction mixture conta...				Bioorg Chem 63: 64-71 (2015) Article DOI: 10.1016/j.bioorg.2015.09.008 BindingDB Entry DOI: 10.7270/Q2RJ4H7T
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM112642 (Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropy...) Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccccc1 |c:10| Show InChI InChI=1S/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8,11-12H,3H2,1-2H3,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+5	n/a	n/a	n/a	n/a	6.8	37
COMSATS Institute of Information Technology, Lahore 54000, Pakistan					Assay Description Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...				Bioorg Chem 54: 96-104 (2014) Article DOI: 10.1016/j.bioorg.2014.05.003 BindingDB Entry DOI: 10.7270/Q2NG4P8Q
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175290 (N,N'-(biphenyl-4,4'-diyl)bis(N-(phenylsulf...) Show SMILES CC(=O)N(c1ccc(cc1)-c1ccc(cc1)N(C(C)=O)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H24N2O6S2/c1-21(31)29(37(33,34)27-9-5-3-6-10-27)25-17-13-23(14-18-25)24-15-19-26(20-16-24)30(22(2)32)38(35,36)28-11-7-4-8-12-28/h3-20H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM175288 (N,N'-(biphenyl-4,4'-diyl)dibenzenesulfonam...) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C24H20N2O4S2/c27-31(28,23-7-3-1-4-8-23)25-21-15-11-19(12-16-21)20-13-17-22(18-14-20)26-32(29,30)24-9-5-2-6-10-24/h1-18,25-26H	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	2.03E+5	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM112643 (Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4- t...) Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C14H15ClN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,11-12H,3H2,1-2H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.13E+5	n/a	n/a	n/a	n/a	6.8	37
COMSATS Institute of Information Technology, Lahore 54000, Pakistan					Assay Description Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...				Bioorg Chem 54: 96-104 (2014) Article DOI: 10.1016/j.bioorg.2014.05.003 BindingDB Entry DOI: 10.7270/Q2NG4P8Q
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM112645 (Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo...) Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(O)c(OC)c1 |c:10| Show InChI InChI=1S/C15H18N2O5/c1-4-22-14(19)12-8(2)16-15(20)17-13(12)9-5-6-10(18)11(7-9)21-3/h5-7,12-13,18H,4H2,1-3H3,(H,17,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+5	n/a	n/a	n/a	n/a	6.8	37
COMSATS Institute of Information Technology, Lahore 54000, Pakistan					Assay Description Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...				Bioorg Chem 54: 96-104 (2014) Article DOI: 10.1016/j.bioorg.2014.05.003 BindingDB Entry DOI: 10.7270/Q2NG4P8Q
					More data for this Ligand-Target Pair

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