Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'deufel' and Initial = 't'   

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))	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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50371550 (CHEMBL272229) Show SMILES [O-][N+](=O)OCCNCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C18H24N4O3/c23-22(24)25-13-12-19-10-5-11-20-18-14-6-1-3-8-16(14)21-17-9-4-2-7-15(17)18/h1,3,6,8,19H,2,4-5,7,9-13H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371559 (CHEMBL270491) Show SMILES [O-][N+](=O)OCCCNCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H26N4O3/c24-23(25)26-14-6-12-20-11-5-13-21-19-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)19/h1,3,7,9,20H,2,4-6,8,10-14H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371549 (CHEMBL270349) Show SMILES CC(C)(CO[N+]([O-])=O)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H28N4O4/c1-21(2,14-29-25(27)28)20(26)23-13-7-12-22-19-15-8-3-5-10-17(15)24-18-11-6-4-9-16(18)19/h3,5,8,10H,4,6-7,9,11-14H2,1-2H3,(H,22,24)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50233374 (9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutyla...) Show SMILES [O-][N+](=O)OCCCNCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H28N4O3/c25-24(26)27-15-7-13-21-12-5-6-14-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,8,10,21H,2,4-7,9,11-15H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371558 (CHEMBL261384) Show SMILES [O-][N+](=O)OCCCCCCNCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H32N4O3/c27-26(28)29-17-8-2-1-7-14-23-15-9-16-24-22-18-10-3-5-12-20(18)25-21-13-6-4-11-19(21)22/h3,5,10,12,23H,1-2,4,6-9,11,13-17H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371559 (CHEMBL270491) Show SMILES [O-][N+](=O)OCCCNCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H26N4O3/c24-23(25)26-14-6-12-20-11-5-13-21-19-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)19/h1,3,7,9,20H,2,4-6,8,10-14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371553 (CHEMBL271746) Show SMILES CC(C)(CO[N+]([O-])=O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H30N4O4/c1-22(2,15-30-26(28)29)21(27)24-14-8-7-13-23-20-16-9-3-5-11-18(16)25-19-12-6-4-10-17(19)20/h3,5,9,11H,4,6-8,10,12-15H2,1-2H3,(H,23,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50233374 (9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutyla...) Show SMILES [O-][N+](=O)OCCCNCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H28N4O3/c25-24(26)27-15-7-13-21-12-5-6-14-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,8,10,21H,2,4-7,9,11-15H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371550 (CHEMBL272229) Show SMILES [O-][N+](=O)OCCNCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C18H24N4O3/c23-22(24)25-13-12-19-10-5-11-20-18-14-6-1-3-8-16(14)21-17-9-4-2-7-15(17)18/h1,3,6,8,19H,2,4-5,7,9-13H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371556 (CHEMBL260308) Show SMILES [O-][N+](=O)OCCCCCCNCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H34N4O3/c28-27(29)30-18-10-2-1-7-15-24-16-8-9-17-25-23-19-11-3-5-13-21(19)26-22-14-6-4-12-20(22)23/h3,5,11,13,24H,1-2,4,6-10,12,14-18H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371557 (CHEMBL277984) Show SMILES [O-][N+](=O)OCCNCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H26N4O3/c24-23(25)26-14-13-20-11-5-6-12-21-19-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)19/h1,3,7,9,20H,2,4-6,8,10-14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371560 (CHEMBL273078) Show SMILES [O-][N+](=O)OCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H24N4O4/c24-18(13-27-23(25)26)20-11-5-6-12-21-19-14-7-1-3-9-16(14)22-17-10-4-2-8-15(17)19/h1,3,7,9H,2,4-6,8,10-13H2,(H,20,24)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50233367 (2-Nitrooxy-N-[3-(1,2,3,4-tetrahydro-acridin-9-ylam...) Show SMILES [O-][N+](=O)OCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C18H22N4O4/c23-17(12-26-22(24)25)19-10-5-11-20-18-13-6-1-3-8-15(13)21-16-9-4-2-7-14(16)18/h1,3,6,8H,2,4-5,7,9-12H2,(H,19,23)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371557 (CHEMBL277984) Show SMILES [O-][N+](=O)OCCNCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H26N4O3/c24-23(25)26-14-13-20-11-5-6-12-21-19-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)19/h1,3,7,9,20H,2,4-6,8,10-14H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371548 (CHEMBL272230) Show SMILES [O-][N+](=O)OCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H26N4O4/c25-19(11-14-28-24(26)27)21-12-5-6-13-22-20-15-7-1-3-9-17(15)23-18-10-4-2-8-16(18)20/h1,3,7,9H,2,4-6,8,10-14H2,(H,21,25)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371555 (CHEMBL273051) Show SMILES [O-]N(N=[O+]CC(=O)NCCCNc1c2CCCCc2nc2ccccc12)N1CCCC1 |w:3.3| Show InChI InChI=1S/C22H30N6O3/c29-21(16-31-26-28(30)27-14-5-6-15-27)23-12-7-13-24-22-17-8-1-3-10-19(17)25-20-11-4-2-9-18(20)22/h1,3,8,10H,2,4-7,9,11-16H2,(H,23,29)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371556 (CHEMBL260308) Show SMILES [O-][N+](=O)OCCCCCCNCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H34N4O3/c28-27(29)30-18-10-2-1-7-15-24-16-8-9-17-25-23-19-11-3-5-13-21(19)26-22-14-6-4-12-20(22)23/h3,5,11,13,24H,1-2,4,6-10,12,14-18H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371552 (CHEMBL271385) Show SMILES CC(C)(C)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H31N3O/c1-22(2,3)21(26)24-15-9-8-14-23-20-16-10-4-6-12-18(16)25-19-13-7-5-11-17(19)20/h4,6,10,12H,5,7-9,11,13-15H2,1-3H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371558 (CHEMBL261384) Show SMILES [O-][N+](=O)OCCCCCCNCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H32N4O3/c27-26(28)29-17-8-2-1-7-14-23-15-9-16-24-22-18-10-3-5-12-20(18)25-21-13-6-4-11-19(21)22/h3,5,10,12,23H,1-2,4,6-9,11,13-17H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371560 (CHEMBL273078) Show SMILES [O-][N+](=O)OCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H24N4O4/c24-18(13-27-23(25)26)20-11-5-6-12-21-19-14-7-1-3-9-16(14)22-17-10-4-2-8-15(17)19/h1,3,7,9H,2,4-6,8,10-13H2,(H,20,24)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371551 (CHEMBL269863) Show SMILES [O-][N+](=O)OCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H24N4O4/c24-18(10-13-27-23(25)26)20-11-5-12-21-19-14-6-1-3-8-16(14)22-17-9-4-2-7-15(17)19/h1,3,6,8H,2,4-5,7,9-13H2,(H,20,24)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50233367 (2-Nitrooxy-N-[3-(1,2,3,4-tetrahydro-acridin-9-ylam...) Show SMILES [O-][N+](=O)OCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C18H22N4O4/c23-17(12-26-22(24)25)19-10-5-11-20-18-13-6-1-3-8-15(13)21-16-9-4-2-7-14(16)18/h1,3,6,8H,2,4-5,7,9-12H2,(H,19,23)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371555 (CHEMBL273051) Show SMILES [O-]N(N=[O+]CC(=O)NCCCNc1c2CCCCc2nc2ccccc12)N1CCCC1 |w:3.3| Show InChI InChI=1S/C22H30N6O3/c29-21(16-31-26-28(30)27-14-5-6-15-27)23-12-7-13-24-22-17-8-1-3-10-19(17)25-20-11-4-2-9-18(20)22/h1,3,8,10H,2,4-7,9,11-16H2,(H,23,29)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371552 (CHEMBL271385) Show SMILES CC(C)(C)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H31N3O/c1-22(2,3)21(26)24-15-9-8-14-23-20-16-10-4-6-12-18(16)25-19-13-7-5-11-17(19)20/h4,6,10,12H,5,7-9,11,13-15H2,1-3H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50371554 (CHEMBL260964) Show SMILES [O-]N(N=[O+]CC(=O)NCCCCNc1c2CCCCc2nc2ccccc12)N1CCCC1 |w:3.3| Show InChI InChI=1S/C23H32N6O3/c30-22(17-32-27-29(31)28-15-7-8-16-28)24-13-5-6-14-25-23-18-9-1-3-11-20(18)26-21-12-4-2-10-19(21)23/h1,3,9,11H,2,4-8,10,12-17H2,(H,24,30)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BuChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					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	45.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371548 (CHEMBL272230) Show SMILES [O-][N+](=O)OCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H26N4O4/c25-19(11-14-28-24(26)27)21-12-5-6-13-22-20-15-7-1-3-9-17(15)23-18-10-4-2-8-16(18)20/h1,3,7,9H,2,4-6,8,10-14H2,(H,21,25)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371554 (CHEMBL260964) Show SMILES [O-]N(N=[O+]CC(=O)NCCCCNc1c2CCCCc2nc2ccccc12)N1CCCC1 |w:3.3| Show InChI InChI=1S/C23H32N6O3/c30-22(17-32-27-29(31)28-15-7-8-16-28)24-13-5-6-14-25-23-18-9-1-3-11-20(18)26-21-12-4-2-10-19(21)23/h1,3,9,11H,2,4-8,10,12-17H2,(H,24,30)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371549 (CHEMBL270349) Show SMILES CC(C)(CO[N+]([O-])=O)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H28N4O4/c1-21(2,14-29-25(27)28)20(26)23-13-7-12-22-19-15-8-3-5-10-17(15)24-18-11-6-4-9-16(18)19/h3,5,8,10H,4,6-7,9,11-14H2,1-2H3,(H,22,24)(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371551 (CHEMBL269863) Show SMILES [O-][N+](=O)OCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H24N4O4/c24-18(10-13-27-23(25)26)20-11-5-12-21-19-14-6-1-3-8-16(14)22-17-9-4-2-7-15(17)19/h1,3,6,8H,2,4-5,7,9-13H2,(H,20,24)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371553 (CHEMBL271746) Show SMILES CC(C)(CO[N+]([O-])=O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H30N4O4/c1-22(2,15-30-26(28)29)21(27)24-14-8-7-13-23-20-16-9-3-5-11-18(16)25-19-12-6-4-10-17(19)20/h3,5,9,11H,4,6-8,10,12-15H2,1-2H3,(H,23,25)(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	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair