Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50005681   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039721 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-6-morpholinobe...) Show SMILES C(Cc1noc2cc(ccc12)N1CCOCC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O2/c1-2-4-21(5-3-1)19-27-12-10-20(11-13-27)6-9-24-23-8-7-22(18-25(23)30-26-24)28-14-16-29-17-15-28/h1-5,7-8,18,20H,6,9-17,19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032165 (CHEMBL92736 | CHEMBL94217 | N-{3-[2-(1-Benzyl-pipe...) Show SMILES CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C23H27N3O2/c1-17(27)24-20-8-9-21-22(25-28-23(21)15-20)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039729 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dimethylbe...) Show SMILES Cc1cc2onc(CCC3CCN(Cc4ccccc4)CC3)c2cc1C Show InChI InChI=1S/C23H28N2O/c1-17-14-21-22(24-26-23(21)15-18(17)2)9-8-19-10-12-25(13-11-19)16-20-6-4-3-5-7-20/h3-7,14-15,19H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039713 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-methoxybenzo...) Show SMILES COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12 Show InChI InChI=1S/C22H26N2O2/c1-25-21-9-5-8-19-20(23-26-22(19)21)11-10-17-12-14-24(15-13-17)16-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039712 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5-methoxybenzo...) Show SMILES COc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C22H26N2O2/c1-25-19-8-10-22-20(15-19)21(23-26-22)9-7-17-11-13-24(14-12-17)16-18-5-3-2-4-6-18/h2-6,8,10,15,17H,7,9,11-14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039728 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5-methylbenzo[...) Show SMILES Cc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C22H26N2O/c1-17-7-10-22-20(15-17)21(23-25-22)9-8-18-11-13-24(14-12-18)16-19-5-3-2-4-6-19/h2-7,10,15,18H,8-9,11-14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039717 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-6-methoxybenzo...) Show SMILES COc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C22H26N2O2/c1-25-19-8-9-20-21(23-26-22(20)15-19)10-7-17-11-13-24(14-12-17)16-18-5-3-2-4-6-18/h2-6,8-9,15,17H,7,10-14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039723 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES NC(=O)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C22H25N3O2/c23-22(26)18-7-8-19-20(24-27-21(19)14-18)9-6-16-10-12-25(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15H2,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039727 (CHEMBL93123 | N-(3-(2-(1-benzylpiperidin-4-yl)ethy...) Show SMILES O=C(Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1)c1ccccc1 Show InChI InChI=1S/C28H29N3O2/c32-28(23-9-5-2-6-10-23)29-24-12-13-25-26(30-33-27(25)19-24)14-11-21-15-17-31(18-16-21)20-22-7-3-1-4-8-22/h1-10,12-13,19,21H,11,14-18,20H2,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039725 (CHEMBL92955 | N-(3-(2-(1-benzylpiperidin-4-yl)ethy...) Show SMILES O=S(=O)(Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1)c1ccccc1 Show InChI InChI=1S/C27H29N3O3S/c31-34(32,24-9-5-2-6-10-24)29-23-12-13-25-26(28-33-27(25)19-23)14-11-21-15-17-30(18-16-21)20-22-7-3-1-4-8-22/h1-10,12-13,19,21,29H,11,14-18,20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039719 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C21H25N3O/c22-18-7-8-19-20(23-25-21(19)14-18)9-6-16-10-12-24(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15,22H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039731 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES Oc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C21H24N2O2/c24-18-7-8-19-20(22-25-21(19)14-18)9-6-16-10-12-23(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16,24H,6,9-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039734 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-6-bromobenzo[d...) Show SMILES Brc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C21H23BrN2O/c22-18-7-8-19-20(23-25-21(19)14-18)9-6-16-10-12-24(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039716 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES C(Cc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H24N2O/c1-2-6-18(7-3-1)16-23-14-12-17(13-15-23)10-11-20-19-8-4-5-9-21(19)24-22-20/h1-9,17H,10-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039715 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-benzo[d]isot...) Show SMILES C(Cc1nsc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H24N2S/c1-2-6-18(7-3-1)16-23-14-12-17(13-15-23)10-11-20-19-8-4-5-9-21(19)24-22-20/h1-9,17H,10-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039718 (3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...) Show SMILES N#Cc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C22H23N3O/c23-15-19-6-8-20-21(24-26-22(20)14-19)9-7-17-10-12-25(13-11-17)16-18-4-2-1-3-5-18/h1-6,8,14,17H,7,9-13,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039720 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole ...) Show SMILES C(Cc1n[nH]c2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25N3/c1-2-6-18(7-3-1)16-24-14-12-17(13-15-24)10-11-21-19-8-4-5-9-20(19)22-23-21/h1-9,17H,10-16H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039726 (3-[(Z)-2-(1-Benzyl-piperidin-4-yl)-vinyl]-benzo[d]...) Show SMILES C(N1CCC(CC1)\C=C/c1noc2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H22N2O/c1-2-6-18(7-3-1)16-23-14-12-17(13-15-23)10-11-20-19-8-4-5-9-21(19)24-22-20/h1-11,17H,12-16H2/b11-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039733 (1-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline | ...) Show SMILES C(Cc1nccc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H26N2/c1-2-6-20(7-3-1)18-25-16-13-19(14-17-25)10-11-23-22-9-5-4-8-21(22)12-15-24-23/h1-9,12,15,19H,10-11,13-14,16-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					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 PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes,				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039711 (Benzo[d]isoxazol-3-yl-(1-benzyl-piperidin-4-ylmeth...) Show SMILES C(Nc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O/c1-2-6-17(7-3-1)15-23-12-10-16(11-13-23)14-21-20-18-8-4-5-9-19(18)24-22-20/h1-9,16H,10-15H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039732 (4-(2-(1-benzylpiperidin-4-yl)ethyl)quinazoline | 4...) Show SMILES C(Cc1ncnc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25N3/c1-2-6-19(7-3-1)16-25-14-12-18(13-15-25)10-11-22-20-8-4-5-9-21(20)23-17-24-22/h1-9,17-18H,10-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039724 (Benzo[d]isoxazol-3-yl-[2-(1-benzyl-piperidin-4-yl)...) Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1noc2ccccc12 Show InChI InChI=1S/C21H25N3O/c1-2-6-18(7-3-1)16-24-14-11-17(12-15-24)10-13-22-21-19-8-4-5-9-20(19)25-23-21/h1-9,17H,10-16H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039730 (3-(3-(1-benzylpiperidin-4-yl)propyl)benzo[d]isoxaz...) Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Cc1noc2ccccc12 Show InChI InChI=1S/C22H26N2O/c1-2-7-19(8-3-1)17-24-15-13-18(14-16-24)9-6-11-21-20-10-4-5-12-22(20)25-23-21/h1-5,7-8,10,12,18H,6,9,11,13-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039722 (3-(1-Benzyl-piperidin-4-ylmethoxy)-benzo[d]isoxazo...) Show SMILES C(Oc1noc2ccccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22N2O2/c1-2-6-16(7-3-1)14-22-12-10-17(11-13-22)15-23-20-18-8-4-5-9-19(18)24-21-20/h1-9,17H,10-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50039721 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-6-morpholinobe...) Show SMILES C(Cc1noc2cc(ccc12)N1CCOCC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O2/c1-2-4-21(5-3-1)19-27-12-10-20(11-13-27)6-9-24-23-8-7-22(18-25(23)30-26-24)28-14-16-29-17-15-28/h1-5,7-8,18,20H,6,9-17,19H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50032165 (CHEMBL92736 | CHEMBL94217 | N-{3-[2-(1-Benzyl-pipe...) Show SMILES CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C23H27N3O2/c1-17(27)24-20-8-9-21-22(25-28-23(21)15-20)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair