Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1709   

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 (Electrophorus electricus (Electric eel))	BDBM13543 (3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)30(26)40-3)31(37)32-18-12-6-4-5-7-17-28(36)34-35-29-22-13-8-10-15-24(22)33-25-16-11-9-14-23(25)29/h8,10,13,15,19-20H,4-7,9,11-12,14,16-18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.23	n/a	3.25	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13549 (3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)30(25)39-3)15-16-27(35)31-17-9-8-14-28(36)33-34-29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4,6,10,12,18-19H,5,7-9,11,13-17H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)	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	0.139	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13550 (3-(3,4,5-Trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)31(26)40-3)16-17-28(36)32-18-10-4-5-15-29(37)34-35-30-22-11-6-8-13-24(22)33-25-14-9-7-12-23(25)30/h6,8,11,13,19-20H,4-5,7,9-10,12,14-18H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)	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	0.141	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13548 (3-(3,4,5-Trimethoxyphenyl)-N-(4-oxo-4-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)29(24)38-3)14-15-26(34)30-16-8-13-27(35)32-33-28-20-9-4-6-11-22(20)31-23-12-7-5-10-21(23)28/h4,6,9,11,17-18H,5,7-8,10,12-16H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)	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	0.226	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13543 (3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)30(26)40-3)31(37)32-18-12-6-4-5-7-17-28(36)34-35-29-22-13-8-10-15-24(22)33-25-16-11-9-14-23(25)29/h8,10,13,15,19-20H,4-7,9,11-12,14,16-18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)	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	0.293	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13542 (3,4,5-Trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)29(25)39-3)30(36)31-17-11-5-4-6-16-27(35)33-34-28-21-12-7-9-14-23(21)32-24-15-10-8-13-22(24)28/h7,9,12,14,18-19H,4-6,8,10-11,13,15-17H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)	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	0.523	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13541 (3,4,5-Trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)28(24)38-3)29(35)30-16-10-4-5-15-26(34)32-33-27-20-11-6-8-13-22(20)31-23-14-9-7-12-21(23)27/h6,8,11,13,17-18H,4-5,7,9-10,12,14-16H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)	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	0.969	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13544 (3,4,5-Trimethoxy-N-(9-oxo-9-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H42N4O5/c1-39-27-20-22(21-28(40-2)31(27)41-3)32(38)33-19-13-7-5-4-6-8-18-29(37)35-36-30-23-14-9-11-16-25(23)34-26-17-12-10-15-24(26)30/h9,11,14,16,20-21H,4-8,10,12-13,15,17-19H2,1-3H3,(H,33,38)(H,34,36)(H,35,37)	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	1.38	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13540 (3,4,5-Trimethoxy-N-(5-oxo-5-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)27(23)37-3)28(34)29-15-9-8-14-25(33)31-32-26-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26/h4,6,10,12,16-17H,5,7-9,11,13-15H2,1-3H3,(H,29,34)(H,30,32)(H,31,33)	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	1.68	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13536 (3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-y...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H25N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4,6,8,10,12-13H,5,7,9,11H2,1-3H3,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13544 (3,4,5-Trimethoxy-N-(9-oxo-9-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H42N4O5/c1-39-27-20-22(21-28(40-2)31(27)41-3)32(38)33-19-13-7-5-4-6-8-18-29(37)35-36-30-23-14-9-11-16-25(23)34-26-17-12-10-15-24(26)30/h9,11,14,16,20-21H,4-8,10,12-13,15,17-19H2,1-3H3,(H,33,38)(H,34,36)(H,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13544 (3,4,5-Trimethoxy-N-(9-oxo-9-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H42N4O5/c1-39-27-20-22(21-28(40-2)31(27)41-3)32(38)33-19-13-7-5-4-6-8-18-29(37)35-36-30-23-14-9-11-16-25(23)34-26-17-12-10-15-24(26)30/h9,11,14,16,20-21H,4-8,10,12-13,15,17-19H2,1-3H3,(H,33,38)(H,34,36)(H,35,37)	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	5.08	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13543 (3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)30(26)40-3)31(37)32-18-12-6-4-5-7-17-28(36)34-35-29-22-13-8-10-15-24(22)33-25-16-11-9-14-23(25)29/h8,10,13,15,19-20H,4-7,9,11-12,14,16-18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)	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	5.24	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13542 (3,4,5-Trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)29(25)39-3)30(36)31-17-11-5-4-6-16-27(35)33-34-28-21-12-7-9-14-23(21)32-24-15-10-8-13-22(24)28/h7,9,12,14,18-19H,4-6,8,10-11,13,15-17H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)	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	5.65	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13544 (3,4,5-Trimethoxy-N-(9-oxo-9-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H42N4O5/c1-39-27-20-22(21-28(40-2)31(27)41-3)32(38)33-19-13-7-5-4-6-8-18-29(37)35-36-30-23-14-9-11-16-25(23)34-26-17-12-10-15-24(26)30/h9,11,14,16,20-21H,4-8,10,12-13,15,17-19H2,1-3H3,(H,33,38)(H,34,36)(H,35,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.99	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13547 (3-(3,4,5-Trimethoxyphenyl)-N-(3-oxo-3-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)28(23)37-3)12-13-25(33)29-15-14-26(34)31-32-27-19-8-4-6-10-21(19)30-22-11-7-5-9-20(22)27/h4,6,8,10,16-17H,5,7,9,11-15H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)	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	6.03	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13539 (3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H32N4O5/c1-34-22-15-17(16-23(35-2)26(22)36-3)27(33)28-14-8-13-24(32)30-31-25-18-9-4-6-11-20(18)29-21-12-7-5-10-19(21)25/h4,6,9,11,15-16H,5,7-8,10,12-14H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)	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	7.13	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13550 (3-(3,4,5-Trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)31(26)40-3)16-17-28(36)32-18-10-4-5-15-29(37)34-35-30-22-11-6-8-13-24(22)33-25-14-9-7-12-23(25)30/h6,8,11,13,19-20H,4-5,7,9-10,12,14-18H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)	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	8.39	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13542 (3,4,5-Trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)29(25)39-3)30(36)31-17-11-5-4-6-16-27(35)33-34-28-21-12-7-9-14-23(21)32-24-15-10-8-13-22(24)28/h7,9,12,14,18-19H,4-6,8,10-11,13,15-17H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.76	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13545 (N'-(1,2,3,4-tetrahydroacridin-9-yl)-3-(3,4,5-trime...) Show SMILES COc1cc(CCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C25H29N3O4/c1-30-21-14-16(15-22(31-2)25(21)32-3)12-13-23(29)27-28-24-17-8-4-6-10-19(17)26-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,26,28)(H,27,29)	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	12.1	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13538 (3,4,5-Trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H30N4O5/c1-33-21-14-16(15-22(34-2)25(21)35-3)26(32)27-13-12-23(31)29-30-24-17-8-4-6-10-19(17)28-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)	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	12.8	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13540 (3,4,5-Trimethoxy-N-(5-oxo-5-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)27(23)37-3)28(34)29-15-9-8-14-25(33)31-32-26-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26/h4,6,10,12,16-17H,5,7-9,11,13-15H2,1-3H3,(H,29,34)(H,30,32)(H,31,33)	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	17	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13543 (3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)30(26)40-3)31(37)32-18-12-6-4-5-7-17-28(36)34-35-29-22-13-8-10-15-24(22)33-25-16-11-9-14-23(25)29/h8,10,13,15,19-20H,4-7,9,11-12,14,16-18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.2	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13540 (3,4,5-Trimethoxy-N-(5-oxo-5-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)27(23)37-3)28(34)29-15-9-8-14-25(33)31-32-26-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26/h4,6,10,12,16-17H,5,7-9,11,13-15H2,1-3H3,(H,29,34)(H,30,32)(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.1	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13541 (3,4,5-Trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)28(24)38-3)29(35)30-16-10-4-5-15-26(34)32-33-27-20-11-6-8-13-22(20)31-23-14-9-7-12-21(23)27/h6,8,11,13,17-18H,4-5,7,9-10,12,14-16H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)	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	18.2	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13541 (3,4,5-Trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)28(24)38-3)29(35)30-16-10-4-5-15-26(34)32-33-27-20-11-6-8-13-22(20)31-23-14-9-7-12-21(23)27/h6,8,11,13,17-18H,4-5,7,9-10,12,14-16H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.1	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13540 (3,4,5-Trimethoxy-N-(5-oxo-5-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)27(23)37-3)28(34)29-15-9-8-14-25(33)31-32-26-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26/h4,6,10,12,16-17H,5,7-9,11,13-15H2,1-3H3,(H,29,34)(H,30,32)(H,31,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13550 (3-(3,4,5-Trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)31(26)40-3)16-17-28(36)32-18-10-4-5-15-29(37)34-35-30-22-11-6-8-13-24(22)33-25-14-9-7-12-23(25)30/h6,8,11,13,19-20H,4-5,7,9-10,12,14-18H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13536 (3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-y...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H25N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4,6,8,10,12-13H,5,7,9,11H2,1-3H3,(H,24,25)(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.1	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13546 (3-(3,4,5-Trimethoxyphenyl)-N-(2-oxo-2-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C27H32N4O5/c1-34-22-14-17(15-23(35-2)27(22)36-3)12-13-24(32)28-16-25(33)30-31-26-18-8-4-6-10-20(18)29-21-11-7-5-9-19(21)26/h4,6,8,10,14-15H,5,7,9,11-13,16H2,1-3H3,(H,28,32)(H,29,31)(H,30,33)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13542 (3,4,5-Trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)29(25)39-3)30(36)31-17-11-5-4-6-16-27(35)33-34-28-21-12-7-9-14-23(21)32-24-15-10-8-13-22(24)28/h7,9,12,14,18-19H,4-6,8,10-11,13,15-17H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.2	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13539 (3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H32N4O5/c1-34-22-15-17(16-23(35-2)26(22)36-3)27(33)28-14-8-13-24(32)30-31-25-18-9-4-6-11-20(18)29-21-12-7-5-10-19(21)25/h4,6,9,11,15-16H,5,7-8,10,12-14H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.3	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM13537 (3,4,5-Trimethoxy-N-(2-oxo-2-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C25H28N4O5/c1-32-20-12-15(13-21(33-2)24(20)34-3)25(31)26-14-22(30)28-29-23-16-8-4-6-10-18(16)27-19-11-7-5-9-17(19)23/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,31)(H,27,29)(H,28,30)	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	27.6	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13550 (3-(3,4,5-Trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)31(26)40-3)16-17-28(36)32-18-10-4-5-15-29(37)34-35-30-22-11-6-8-13-24(22)33-25-14-9-7-12-23(25)30/h6,8,11,13,19-20H,4-5,7,9-10,12,14-18H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13545 (N'-(1,2,3,4-tetrahydroacridin-9-yl)-3-(3,4,5-trime...) Show SMILES COc1cc(CCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C25H29N3O4/c1-30-21-14-16(15-22(31-2)25(21)32-3)12-13-23(29)27-28-24-17-8-4-6-10-19(17)26-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,26,28)(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.1	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13546 (3-(3,4,5-Trimethoxyphenyl)-N-(2-oxo-2-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C27H32N4O5/c1-34-22-14-17(15-23(35-2)27(22)36-3)12-13-24(32)28-16-25(33)30-31-26-18-8-4-6-10-20(18)29-21-11-7-5-9-19(21)26/h4,6,8,10,14-15H,5,7,9,11-13,16H2,1-3H3,(H,28,32)(H,29,31)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.1	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13546 (3-(3,4,5-Trimethoxyphenyl)-N-(2-oxo-2-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C27H32N4O5/c1-34-22-14-17(15-23(35-2)27(22)36-3)12-13-24(32)28-16-25(33)30-31-26-18-8-4-6-10-20(18)29-21-11-7-5-9-19(21)26/h4,6,8,10,14-15H,5,7,9,11-13,16H2,1-3H3,(H,28,32)(H,29,31)(H,30,33)	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	40.7	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13538 (3,4,5-Trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H30N4O5/c1-33-21-14-16(15-22(34-2)25(21)35-3)26(32)27-13-12-23(31)29-30-24-17-8-4-6-10-19(17)28-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49.5	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13537 (3,4,5-Trimethoxy-N-(2-oxo-2-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C25H28N4O5/c1-32-20-12-15(13-21(33-2)24(20)34-3)25(31)26-14-22(30)28-29-23-16-8-4-6-10-18(16)27-19-11-7-5-9-17(19)23/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,31)(H,27,29)(H,28,30)	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	51.6	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13548 (3-(3,4,5-Trimethoxyphenyl)-N-(4-oxo-4-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)29(24)38-3)14-15-26(34)30-16-8-13-27(35)32-33-28-20-9-4-6-11-22(20)31-23-12-7-5-10-21(23)28/h4,6,9,11,17-18H,5,7-8,10,12-16H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52.1	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13549 (3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)30(25)39-3)15-16-27(35)31-17-9-8-14-28(36)33-34-29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4,6,10,12,18-19H,5,7-9,11,13-17H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54.7	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13541 (3,4,5-Trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)28(24)38-3)29(35)30-16-10-4-5-15-26(34)32-33-27-20-11-6-8-13-22(20)31-23-14-9-7-12-21(23)27/h6,8,11,13,17-18H,4-5,7,9-10,12,14-16H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.7	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13549 (3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)30(25)39-3)15-16-27(35)31-17-9-8-14-28(36)33-34-29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4,6,10,12,18-19H,5,7-9,11,13-17H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)	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	59	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13539 (3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H32N4O5/c1-34-22-15-17(16-23(35-2)26(22)36-3)27(33)28-14-8-13-24(32)30-31-25-18-9-4-6-11-20(18)29-21-12-7-5-10-19(21)25/h4,6,9,11,15-16H,5,7-8,10,12-14H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60.5	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13547 (3-(3,4,5-Trimethoxyphenyl)-N-(3-oxo-3-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)28(23)37-3)12-13-25(33)29-15-14-26(34)31-32-27-19-8-4-6-10-21(19)30-22-11-7-5-9-20(22)27/h4,6,8,10,16-17H,5,7,9,11-15H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68.9	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13548 (3-(3,4,5-Trimethoxyphenyl)-N-(4-oxo-4-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)29(24)38-3)14-15-26(34)30-16-8-13-27(35)32-33-28-20-9-4-6-11-22(20)31-23-12-7-5-10-21(23)28/h4,6,9,11,17-18H,5,7-8,10,12-16H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)	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	72.1	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13538 (3,4,5-Trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H30N4O5/c1-33-21-14-16(15-22(34-2)25(21)35-3)26(32)27-13-12-23(31)29-30-24-17-8-4-6-10-19(17)28-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)	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	89.2	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13538 (3,4,5-Trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H30N4O5/c1-33-21-14-16(15-22(34-2)25(21)35-3)26(32)27-13-12-23(31)29-30-24-17-8-4-6-10-19(17)28-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13549 (3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)30(25)39-3)15-16-27(35)31-17-9-8-14-28(36)33-34-29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4,6,10,12,18-19H,5,7-9,11,13-17H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13547 (3-(3,4,5-Trimethoxyphenyl)-N-(3-oxo-3-(2-(1,2,3,4-...) Show SMILES COc1cc(CCC(=O)NCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)28(23)37-3)12-13-25(33)29-15-14-26(34)31-32-27-19-8-4-6-10-21(19)30-22-11-7-5-9-20(22)27/h4,6,8,10,16-17H,5,7,9,11-15H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair

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