Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 7119   

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
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
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
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
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
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))	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 (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
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
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
Cholinesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4.00E+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