Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'sit' and Initial = 'vm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholinesterase (Homo sapiens (Human))	BDBM199186 (N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM199199 (N-(Pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9...) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1ccccn1 Show InChI InChI=1S/C19H19N3/c1-3-10-17-15(8-1)19(16-9-2-4-11-18(16)22-17)21-13-14-7-5-6-12-20-14/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199196 (N-(3,4-Dimethoxyphenethyl)-1,2,3,4-tetrahydroacrid...) Show SMILES COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C23H26N2O2/c1-26-21-12-11-16(15-22(21)27-2)13-14-24-23-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)23/h3,5,7,9,11-12,15H,4,6,8,10,13-14H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199184 (N-(3-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-am...) Show SMILES COc1cccc(CNc2c3CCCCc3nc3ccccc23)c1 Show InChI InChI=1S/C21H22N2O/c1-24-16-8-6-7-15(13-16)14-22-21-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)21/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199183 (N-(2-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-am...) Show SMILES COc1ccccc1CNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-24-20-13-7-2-8-15(20)14-22-21-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)21/h2-3,5,7-9,11,13H,4,6,10,12,14H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199201 (6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro...) Show SMILES Clc1ccc2c(NCc3ccccn3)c3CCCCc3nc2c1 Show InChI InChI=1S/C19H18ClN3/c20-13-8-9-16-18(11-13)23-17-7-2-1-6-15(17)19(16)22-12-14-5-3-4-10-21-14/h3-5,8-11H,1-2,6-7,12H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM199185 (N-(4-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-am...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C21H22N2O/c1-24-16-12-10-15(11-13-16)14-22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199202 (6-Chloro-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydro...) Show SMILES Clc1ccc2c(NCc3cccnc3)c3CCCCc3nc2c1 Show InChI InChI=1S/C19H18ClN3/c20-14-7-8-16-18(10-14)23-17-6-2-1-5-15(17)19(16)22-12-13-4-3-9-21-11-13/h3-4,7-11H,1-2,5-6,12H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199200 (N-(Pyridin-3-ylmethyl)-1,2,3,4-tetrahydroacridin-9...) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1cccnc1 Show InChI InChI=1S/C19H19N3/c1-3-9-17-15(7-1)19(16-8-2-4-10-18(16)22-17)21-13-14-6-5-11-20-12-14/h1,3,5-7,9,11-12H,2,4,8,10,13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199182 (N-benzyl-1,2,3,4-tetrahydroacridin-9-amine (8a)) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199197 (6-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...) Show SMILES COc1ccc(CCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC Show InChI InChI=1S/C23H25ClN2O2/c1-27-21-10-7-15(13-22(21)28-2)11-12-25-23-17-5-3-4-6-19(17)26-20-14-16(24)8-9-18(20)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199188 (6-Chloro-N-(3-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1cccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)c1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-6-4-5-14(11-16)13-23-21-17-7-2-3-8-19(17)24-20-12-15(22)9-10-18(20)21/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199189 (6-Chloro-N-(4-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-12-15(22)8-11-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199190 (6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC Show InChI InChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-12-15(23)8-9-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199195 (7-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccc(Cl)cc23)cc1OC Show InChI InChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-9-8-15(23)12-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199190 (6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC Show InChI InChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-12-15(23)8-9-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199201 (6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro...) Show SMILES Clc1ccc2c(NCc3ccccn3)c3CCCCc3nc2c1 Show InChI InChI=1S/C19H18ClN3/c20-13-8-9-16-18(11-13)23-17-7-2-1-6-15(17)19(16)22-12-14-5-3-4-10-21-14/h3-5,8-11H,1-2,6-7,12H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8997 (N-Benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES Clc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1 Show InChI InChI=1S/C20H19ClN2/c21-15-10-11-17-19(12-15)23-18-9-5-4-8-16(18)20(17)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)	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	1.70E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199193 (7-Chloro-N-(3-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1cccc(CNc2c3CCCCc3nc3ccc(Cl)cc23)c1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-6-4-5-14(11-16)13-23-21-17-7-2-3-8-19(17)24-20-10-9-15(22)12-18(20)21/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199197 (6-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...) Show SMILES COc1ccc(CCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC Show InChI InChI=1S/C23H25ClN2O2/c1-27-21-10-7-15(13-22(21)28-2)11-12-25-23-17-5-3-4-6-19(17)26-20-14-16(24)8-9-18(20)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199185 (N-(4-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-am...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C21H22N2O/c1-24-16-12-10-15(11-13-16)14-22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199186 (N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199187 (6-Chloro-N-(2-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccccc1CNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H21ClN2O/c1-25-20-9-5-2-6-14(20)13-23-21-16-7-3-4-8-18(16)24-19-12-15(22)10-11-17(19)21/h2,5-6,9-12H,3-4,7-8,13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM199191 (N-Benzyl-7-chloro-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES Clc1ccc2nc3CCCCc3c(NCc3ccccc3)c2c1 Show InChI InChI=1S/C20H19ClN2/c21-15-10-11-19-17(12-15)20(16-8-4-5-9-18(16)23-19)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199187 (6-Chloro-N-(2-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccccc1CNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H21ClN2O/c1-25-20-9-5-2-6-14(20)13-23-21-16-7-3-4-8-18(16)24-19-12-15(22)10-11-17(19)21/h2,5-6,9-12H,3-4,7-8,13H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199198 (7-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...) Show SMILES COc1ccc(CCNc2c3CCCCc3nc3ccc(Cl)cc23)cc1OC Show InChI InChI=1S/C23H25ClN2O2/c1-27-21-10-7-15(13-22(21)28-2)11-12-25-23-17-5-3-4-6-19(17)26-20-9-8-16(24)14-18(20)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199184 (N-(3-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-am...) Show SMILES COc1cccc(CNc2c3CCCCc3nc3ccccc23)c1 Show InChI InChI=1S/C21H22N2O/c1-24-16-8-6-7-15(13-16)14-22-21-17-9-2-4-11-19(17)23-20-12-5-3-10-18(20)21/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199194 (7-Chloro-N-(4-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-11-8-15(22)12-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8997 (N-Benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES Clc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1 Show InChI InChI=1S/C20H19ClN2/c21-15-10-11-17-19(12-15)23-18-9-5-4-8-16(18)20(17)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)	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+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199200 (N-(Pyridin-3-ylmethyl)-1,2,3,4-tetrahydroacridin-9...) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1cccnc1 Show InChI InChI=1S/C19H19N3/c1-3-9-17-15(7-1)19(16-8-2-4-10-18(16)22-17)21-13-14-6-5-11-20-12-14/h1,3,5-7,9,11-12H,2,4,8,10,13H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199192 (7-Chloro-N-(2-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccccc1CNc1c2CCCCc2nc2ccc(Cl)cc12 Show InChI InChI=1S/C21H21ClN2O/c1-25-20-9-5-2-6-14(20)13-23-21-16-7-3-4-8-18(16)24-19-11-10-15(22)12-17(19)21/h2,5-6,9-12H,3-4,7-8,13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199196 (N-(3,4-Dimethoxyphenethyl)-1,2,3,4-tetrahydroacrid...) Show SMILES COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C23H26N2O2/c1-26-21-12-11-16(15-22(21)27-2)13-14-24-23-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)23/h3,5,7,9,11-12,15H,4,6,8,10,13-14H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199192 (7-Chloro-N-(2-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccccc1CNc1c2CCCCc2nc2ccc(Cl)cc12 Show InChI InChI=1S/C21H21ClN2O/c1-25-20-9-5-2-6-14(20)13-23-21-16-7-3-4-8-18(16)24-19-11-10-15(22)12-17(19)21/h2,5-6,9-12H,3-4,7-8,13H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199188 (6-Chloro-N-(3-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1cccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)c1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-6-4-5-14(11-16)13-23-21-17-7-2-3-8-19(17)24-20-12-15(22)9-10-18(20)21/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199183 (N-(2-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-am...) Show SMILES COc1ccccc1CNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-24-20-13-7-2-8-15(20)14-22-21-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)21/h2-3,5,7-9,11,13H,4,6,10,12,14H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199199 (N-(Pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9...) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1ccccn1 Show InChI InChI=1S/C19H19N3/c1-3-10-17-15(8-1)19(16-9-2-4-11-18(16)22-17)21-13-14-7-5-6-12-20-14/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199203 (7-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro...) Show SMILES Clc1ccc2nc3CCCCc3c(NCc3ccccn3)c2c1 Show InChI InChI=1S/C19H18ClN3/c20-13-8-9-18-16(11-13)19(15-6-1-2-7-17(15)23-18)22-12-14-5-3-4-10-21-14/h3-5,8-11H,1-2,6-7,12H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199182 (N-benzyl-1,2,3,4-tetrahydroacridin-9-amine (8a)) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199203 (7-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro...) Show SMILES Clc1ccc2nc3CCCCc3c(NCc3ccccn3)c2c1 Show InChI InChI=1S/C19H18ClN3/c20-13-8-9-18-16(11-13)19(15-6-1-2-7-17(15)23-18)22-12-14-5-3-4-10-21-14/h3-5,8-11H,1-2,6-7,12H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199198 (7-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...) Show SMILES COc1ccc(CCNc2c3CCCCc3nc3ccc(Cl)cc23)cc1OC Show InChI InChI=1S/C23H25ClN2O2/c1-27-21-10-7-15(13-22(21)28-2)11-12-25-23-17-5-3-4-6-19(17)26-20-9-8-16(24)14-18(20)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199204 (7-Chloro-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydro...) Show SMILES Clc1ccc2nc3CCCCc3c(NCc3cccnc3)c2c1 Show InChI InChI=1S/C19H18ClN3/c20-14-7-8-18-16(10-14)19(15-5-1-2-6-17(15)23-18)22-12-13-4-3-9-21-11-13/h3-4,7-11H,1-2,5-6,12H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199193 (7-Chloro-N-(3-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1cccc(CNc2c3CCCCc3nc3ccc(Cl)cc23)c1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-6-4-5-14(11-16)13-23-21-17-7-2-3-8-19(17)24-20-10-9-15(22)12-18(20)21/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199189 (6-Chloro-N-(4-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-12-15(22)8-11-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199195 (7-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccc(Cl)cc23)cc1OC Show InChI InChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-9-8-15(23)12-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199194 (7-Chloro-N-(4-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-11-8-15(22)12-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair

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