Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'carilla' and Initial = 'e'   

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 (Rattus norvegicus (rat))	BDBM50040619 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(3-nitro-b...) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)[NH+]=C([S-])NCCC1CCN(Cc2ccccc2)CC1 |w:11.11| Show InChI InChI=1S/C22H26N4O3S/c27-21(19-7-4-8-20(15-19)26(28)29)24-22(30)23-12-9-17-10-13-25(14-11-17)16-18-5-2-1-3-6-18/h1-8,15,17H,9-14,16H2,(H2,23,24,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040622 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(9,10-diox...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C30H29N3O3S/c34-27-23-8-4-5-9-24(23)28(35)26-18-22(10-11-25(26)27)29(36)32-30(37)31-15-12-20-13-16-33(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,31,32,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholine esterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040626 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(5-nitro-p...) Show SMILES [O-][N+](=O)c1ccc([N-]C(=[SH+])NCCC2CCN(Cc3ccccc3)CC2)nc1 Show InChI InChI=1S/C20H25N5O2S/c26-25(27)18-6-7-19(22-14-18)23-20(28)21-11-8-16-9-12-24(13-10-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H2,21,22,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040657 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(3,4-dimet...) Show SMILES COc1ccc(cc1OC)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O3S/c1-29-21-9-8-20(16-22(21)30-2)23(28)26-24(31)25-13-10-18-11-14-27(15-12-18)17-19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H2,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040643 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-methane...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O3S2/c1-31(28,29)21-9-7-20(8-10-21)22(27)25-23(30)24-14-11-18-12-15-26(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H2,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032395 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(9,...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2c(O)c3ccccc3c(O)c2c1)Cc1ccccc1 Show InChI InChI=1S/C28H29N3O4S/c1-31(18-19-7-3-2-4-8-19)14-16-35-15-13-29-28(36)30-27(34)20-11-12-23-24(17-20)26(33)22-10-6-5-9-21(22)25(23)32/h2-12,17,32-33H,13-16,18H2,1H3,(H2,29,30,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040618 (1-(4-Acetyl-benzoyl)-3-[2-(1-benzyl-piperidin-4-yl...) Show SMILES CC(=O)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-18(28)21-7-9-22(10-8-21)23(29)26-24(30)25-14-11-19-12-15-27(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H2,25,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040646 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-methoxy...) Show SMILES COc1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O2S/c1-28-21-9-7-20(8-10-21)22(27)25-23(29)24-14-11-18-12-15-26(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H2,24,25,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040632 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(9-oxo-9H-...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)oc1ccccc1c2=O Show InChI InChI=1S/C29H29N3O3S/c33-27-23-8-4-5-9-25(23)35-26-18-22(10-11-24(26)27)28(34)31-29(36)30-15-12-20-13-16-32(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,30,31,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040637 (1-(Benzo[1,3]dioxole-5-carbonyl)-3-[2-(1-benzyl-pi...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H27N3O3S/c27-22(19-6-7-20-21(14-19)29-16-28-20)25-23(30)24-11-8-17-9-12-26(13-10-17)15-18-4-2-1-3-5-18/h1-7,14,17H,8-13,15-16H2,(H2,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032391 (1-Benzoyl-3-[2-(1-benzyl-piperidin-4-yl)-ethyl]-th...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27N3OS/c26-21(20-9-5-2-6-10-20)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032391 (1-Benzoyl-3-[2-(1-benzyl-piperidin-4-yl)-ethyl]-th...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27N3OS/c26-21(20-9-5-2-6-10-20)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032384 (1-Benzoyl-3-{2-[2-(cyclohexyl-methyl-amino)-ethoxy...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C19H29N3O2S/c1-22(17-10-6-3-7-11-17)13-15-24-14-12-20-19(25)21-18(23)16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H2,20,21,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040655 (1-(4-Benzoyl-benzoyl)-3-[2-(1-benzyl-piperidin-4-y...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H31N3O2S/c33-27(24-9-5-2-6-10-24)25-11-13-26(14-12-25)28(34)31-29(35)30-18-15-22-16-19-32(20-17-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2,(H2,30,31,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032390 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(3-...) Show SMILES CN(CCOCCNC([S-])=[NH+]C(=O)c1cccc(c1)[N+]([O-])=O)Cc1ccccc1 |w:10.10| Show InChI InChI=1S/C20H24N4O4S/c1-23(15-16-6-3-2-4-7-16)11-13-28-12-10-21-20(29)22-19(25)17-8-5-9-18(14-17)24(26)27/h2-9,14H,10-13,15H2,1H3,(H2,21,22,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040631 (1-Benzoyl-3-[2-(1-benzyl-piperidin-4-yl)-ethyl]-ur...) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 Show InChI InChI=1S/C22H27N3O2/c26-21(20-9-5-2-6-10-20)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040620 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-chloro-...) Show SMILES Clc1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H26ClN3OS/c23-20-8-6-19(7-9-20)21(27)25-22(28)24-13-10-17-11-14-26(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H2,24,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040633 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-pyridin-2-...) Show SMILES S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccn1 Show InChI InChI=1S/C20H26N4S/c25-20(23-19-8-4-5-12-21-19)22-13-9-17-10-14-24(15-11-17)16-18-6-2-1-3-7-18/h1-8,12,17H,9-11,13-16H2,(H2,21,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032398 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...) Show SMILES COc1ccc(cc1)C(=O)NC(=S)NCCOCCN(C)Cc1ccccc1 Show InChI InChI=1S/C21H27N3O3S/c1-24(16-17-6-4-3-5-7-17)13-15-27-14-12-22-21(28)23-20(25)18-8-10-19(26-2)11-9-18/h3-11H,12-16H2,1-2H3,(H2,22,23,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032394 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(9-...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2C(=O)c3ccccc3-c2c1)Cc1ccccc1 Show InChI InChI=1S/C27H27N3O3S/c1-30(18-19-7-3-2-4-8-19)14-16-33-15-13-28-27(34)29-26(32)20-11-12-23-24(17-20)21-9-5-6-10-22(21)25(23)31/h2-12,17H,13-16,18H2,1H3,(H2,28,29,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032393 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C20H24ClN3O2S/c1-24(15-16-5-3-2-4-6-16)12-14-26-13-11-22-20(27)23-19(25)17-7-9-18(21)10-8-17/h2-10H,11-15H2,1H3,(H2,22,23,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040629 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-trifluo...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H26F3N3OS/c24-23(25,26)20-8-6-19(7-9-20)21(30)28-22(31)27-13-10-17-11-14-29(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H2,27,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040656 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(2-nitro-b...) Show SMILES [O-][N+](=O)c1ccccc1C(=O)[NH+]=C([S-])NCCC1CCN(Cc2ccccc2)CC1 |w:11.11| Show InChI InChI=1S/C22H26N4O3S/c27-21(19-8-4-5-9-20(19)26(28)29)24-22(30)23-13-10-17-11-14-25(15-12-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H2,23,24,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032382 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(3,...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 Show InChI InChI=1S/C20H23Cl2N3O2S/c1-25(14-15-5-3-2-4-6-15)10-12-27-11-9-23-20(28)24-19(26)16-7-8-17(21)18(22)13-16/h2-8,13H,9-12,14H2,1H3,(H2,23,24,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032386 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C21H27N3O2S/c1-17-8-10-19(11-9-17)20(25)23-21(27)22-12-14-26-15-13-24(2)16-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H2,22,23,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040642 (CHEMBL161779 | N-benzyl-N''-[2-(1phenyl-4-piperidi...) Show SMILES [O-][N+](=O)[CH-]\C(NCCC1CCN(Cc2ccccc2)CC1)=[NH+]/c1ccccc1 Show InChI InChI=1S/C22H27N4O2/c27-26(28)18-22(24-21-9-5-2-6-10-21)23-14-11-19-12-15-25(16-13-19)17-20-7-3-1-4-8-20/h1-10,18-19H,11-17H2,(H,23,24)/q-1/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholine esterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040636 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(9-oxo-9H-...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc-2c(c1)C(=O)c1ccccc-21 Show InChI InChI=1S/C29H29N3O2S/c33-27-25-9-5-4-8-23(25)24-11-10-22(18-26(24)27)28(34)31-29(35)30-15-12-20-13-16-32(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,30,31,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040624 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(3-phenoxy...) Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C28H31N3O2S/c32-27(24-10-7-13-26(20-24)33-25-11-5-2-6-12-25)30-28(34)29-17-14-22-15-18-31(19-16-22)21-23-8-3-1-4-9-23/h1-13,20,22H,14-19,21H2,(H2,29,30,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032397 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(na...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C24H27N3O2S/c1-27(18-19-7-3-2-4-8-19)14-16-29-15-13-25-24(30)26-23(28)22-12-11-20-9-5-6-10-21(20)17-22/h2-12,17H,13-16,18H2,1H3,(H2,25,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032381 (1-Benzoyl-3-{2-[2-(benzyl-methyl-amino)-ethoxy]-et...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C20H25N3O2S/c1-23(16-17-8-4-2-5-9-17)13-15-25-14-12-21-20(26)22-19(24)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H2,21,22,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040650 (CHEMBL162750 | N-benzyl-N''-[2-(1-benzyl-4-piperid...) Show SMILES [O-][N+](=O)[CH-]\C(NCCC1CCN(Cc2ccccc2)CC1)=[NH+]/Cc1ccccc1 Show InChI InChI=1S/C23H29N4O2/c28-27(29)19-23(25-17-21-7-3-1-4-8-21)24-14-11-20-12-15-26(16-13-20)18-22-9-5-2-6-10-22/h1-10,19-20H,11-18H2,(H,24,25)/q-1/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholine esterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040641 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(4-methoxy...) Show SMILES COc1ccc(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C22H29N3OS/c1-26-21-9-7-20(8-10-21)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholine esterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040627 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(3-trifluo...) Show SMILES FC(F)(F)c1cccc(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C22H26F3N3S/c23-22(24,25)19-7-4-8-20(15-19)27-21(29)26-12-9-17-10-13-28(14-11-17)16-18-5-2-1-3-6-18/h1-8,15,17H,9-14,16H2,(H2,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040653 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-pyridin-4-...) Show SMILES S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccncc1 Show InChI InChI=1S/C20H26N4S/c25-20(23-19-7-11-21-12-8-19)22-13-6-17-9-14-24(15-10-17)16-18-4-2-1-3-5-18/h1-5,7-8,11-12,17H,6,9-10,13-16H2,(H2,21,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032383 (1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(bi...) Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C26H29N3O2S/c1-29(20-21-8-4-2-5-9-21)17-19-31-18-16-27-26(32)28-25(30)24-14-12-23(13-15-24)22-10-6-3-7-11-22/h2-15H,16-20H2,1H3,(H2,27,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040649 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-phenyl-thi...) Show SMILES S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1 Show InChI InChI=1S/C21H27N3S/c25-21(23-20-9-5-2-6-10-20)22-14-11-18-12-15-24(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040661 (3-Benzyl-1-[2-(1-benzyl-piperidin-4-yl)-ethyl]-1-e...) Show SMILES CCN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NCc1ccccc1 Show InChI InChI=1S/C24H33N3S/c1-2-27(24(28)25-19-22-9-5-3-6-10-22)18-15-21-13-16-26(17-14-21)20-23-11-7-4-8-12-23/h3-12,21H,2,13-20H2,1H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040645 (3-Benzoyl-1-[2-(1-benzyl-piperidin-4-yl)-ethyl]-1-...) Show SMILES CCN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H31N3OS/c1-2-27(24(29)25-23(28)22-11-7-4-8-12-22)18-15-20-13-16-26(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3,(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040654 (3-Benzoyl-1-[2-(1-benzyl-piperidin-4-yl)-ethyl]-1-...) Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C23H29N3OS/c1-25(23(28)24-22(27)21-10-6-3-7-11-21)15-12-19-13-16-26(17-14-19)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3,(H,24,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040625 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-o-tolyl-th...) Show SMILES Cc1ccccc1NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H29N3S/c1-18-7-5-6-10-21(18)24-22(26)23-14-11-19-12-15-25(16-13-19)17-20-8-3-2-4-9-20/h2-10,19H,11-17H2,1H3,(H2,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040635 (1-(4-Acetyl-phenyl)-3-[2-(1-benzyl-piperidin-4-yl)...) Show SMILES CC(=O)c1ccc(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C23H29N3OS/c1-18(27)21-7-9-22(10-8-21)25-23(28)24-14-11-19-12-15-26(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040634 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1-methyl-1-p...) Show SMILES CN(C(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H29N3S/c1-24(21-10-6-3-7-11-21)22(26)23-15-12-19-13-16-25(17-14-19)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040659 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-pyridin-3-...) Show SMILES S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1cccnc1 Show InChI InChI=1S/C20H26N4S/c25-20(23-19-7-4-11-21-15-19)22-12-8-17-9-13-24(14-10-17)16-18-5-2-1-3-6-18/h1-7,11,15,17H,8-10,12-14,16H2,(H2,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	538	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50040628 (1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(3-methoxy...) Show SMILES COc1cccc(c1)C(=O)NC(=S)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O2S/c1-28-21-9-5-8-20(16-21)22(27)25-23(29)24-13-10-18-11-14-26(15-12-18)17-19-6-3-2-4-7-19/h2-9,16,18H,10-15,17H2,1H3,(H2,24,25,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Médicament Curated by ChEMBL					Assay Description Inhibition against acetylcholinesterase (AChE)				J Med Chem 37: 689-95 (1994) BindingDB Entry DOI: 10.7270/Q2N29W0C
					More data for this Ligand-Target Pair

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