Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50045306   

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))	BDBM50056112 (CHEMBL3326702) Show SMILES COc1cc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C30H33N3O5/c1-36-26-17-19-16-22(30(35)38-25(19)18-27(26)37-2)29(34)32-15-9-3-8-14-31-28-20-10-4-6-12-23(20)33-24-13-7-5-11-21(24)28/h4,6,10,12,16-18H,3,5,7-9,11,13-15H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					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	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50056107 (CHEMBL3326704) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C29H31N3O3/c33-28(23-19-20-11-3-8-16-26(20)35-29(23)34)31-18-10-2-1-9-17-30-27-21-12-4-6-14-24(21)32-25-15-7-5-13-22(25)27/h3-4,6,8,11-12,14,16,19H,1-2,5,7,9-10,13,15,17-18H2,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056107 (CHEMBL3326704) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C29H31N3O3/c33-28(23-19-20-11-3-8-16-26(20)35-29(23)34)31-18-10-2-1-9-17-30-27-21-12-4-6-14-24(21)32-25-15-7-5-13-22(25)27/h3-4,6,8,11-12,14,16,19H,1-2,5,7,9-10,13,15,17-18H2,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056109 (CHEMBL3326709) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H30F3N3O4/c31-30(32,33)40-20-13-14-26-19(17-20)18-23(29(38)39-26)28(37)35-16-8-2-1-7-15-34-27-21-9-3-5-11-24(21)36-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,1-2,4,6-8,10,12,15-16H2,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056119 (CHEMBL3326710) Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C30H33N3O3/c34-29(24-20-21-12-4-9-17-27(21)36-30(24)35)32-19-11-3-1-2-10-18-31-28-22-13-5-7-15-25(22)33-26-16-8-6-14-23(26)28/h4-5,7,9,12-13,15,17,20H,1-3,6,8,10-11,14,16,18-19H2,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056122 (CHEMBL3326705) Show SMILES COc1ccc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C30H33N3O4/c1-36-21-15-14-20-18-24(30(35)37-27(20)19-21)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056108 (CHEMBL3326707) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056121 (CHEMBL3326706) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O4/c1-36-21-14-15-27-20(18-21)19-24(30(35)37-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056121 (CHEMBL3326706) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O4/c1-36-21-14-15-27-20(18-21)19-24(30(35)37-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056115 (CHEMBL3326699) Show SMILES COc1ccc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C29H31N3O4/c1-35-20-14-13-19-17-23(29(34)36-26(19)18-20)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056108 (CHEMBL3326707) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056120 (CHEMBL3326708) Show SMILES COc1cc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C31H35N3O5/c1-37-27-18-20-17-23(31(36)39-26(20)19-28(27)38-2)30(35)33-16-10-4-3-9-15-32-29-21-11-5-7-13-24(21)34-25-14-8-6-12-22(25)29/h5,7,11,13,17-19H,3-4,6,8-10,12,14-16H2,1-2H3,(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056122 (CHEMBL3326705) Show SMILES COc1ccc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C30H33N3O4/c1-36-21-15-14-20-18-24(30(35)37-27(20)19-21)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056106 (CHEMBL3326698) Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C28H29N3O3/c32-27(22-18-19-10-2-7-15-25(19)34-28(22)33)30-17-9-1-8-16-29-26-20-11-3-5-13-23(20)31-24-14-6-4-12-21(24)26/h2-3,5,7,10-11,13,15,18H,1,4,6,8-9,12,14,16-17H2,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056113 (CHEMBL3326701) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H31N3O3/c1-19-13-14-26-20(17-19)18-23(29(34)35-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056123 (CHEMBL3326703) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H28F3N3O4/c30-29(31,32)39-19-12-13-25-18(16-19)17-22(28(37)38-25)27(36)34-15-7-1-6-14-33-26-20-8-2-4-10-23(20)35-24-11-5-3-9-21(24)26/h2,4,8,10,12-13,16-17H,1,3,5-7,9,11,14-15H2,(H,33,35)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056114 (CHEMBL3326700) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H31N3O4/c1-35-20-13-14-26-19(17-20)18-23(29(34)36-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056106 (CHEMBL3326698) Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C28H29N3O3/c32-27(22-18-19-10-2-7-15-25(19)34-28(22)33)30-17-9-1-8-16-29-26-20-11-3-5-13-23(20)31-24-14-6-4-12-21(24)26/h2-3,5,7,10-11,13,15,18H,1,4,6,8-9,12,14,16-17H2,(H,29,31)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056110 (CHEMBL3327246) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O4/c1-37-22-15-16-28-21(19-22)20-25(31(36)38-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056118 (CHEMBL3326711) Show SMILES COc1ccc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C31H35N3O4/c1-37-22-16-15-21-19-25(31(36)38-28(21)20-22)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056113 (CHEMBL3326701) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H31N3O3/c1-19-13-14-26-20(17-19)18-23(29(34)35-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					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	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50056117 (CHEMBL3327248) Show SMILES COc1cc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C32H37N3O5/c1-38-28-19-21-18-24(32(37)40-27(21)20-29(28)39-2)31(36)34-17-11-5-3-4-10-16-33-30-22-12-6-8-14-25(22)35-26-15-9-7-13-23(26)30/h6,8,12,14,18-20H,3-5,7,9-11,13,15-17H2,1-2H3,(H,33,35)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056114 (CHEMBL3326700) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H31N3O4/c1-35-20-13-14-26-19(17-20)18-23(29(34)36-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056116 (CHEMBL3327249) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H32F3N3O4/c32-31(33,34)41-21-14-15-27-20(18-21)19-24(30(39)40-27)29(38)36-17-9-3-1-2-8-16-35-28-22-10-4-6-12-25(22)37-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,35,37)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056119 (CHEMBL3326710) Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C30H33N3O3/c34-29(24-20-21-12-4-9-17-27(21)36-30(24)35)32-19-11-3-1-2-10-18-31-28-22-13-5-7-15-25(22)33-26-16-8-6-14-23(26)28/h4-5,7,9,12-13,15,17,20H,1-3,6,8,10-11,14,16,18-19H2,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056115 (CHEMBL3326699) Show SMILES COc1ccc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C29H31N3O4/c1-35-20-14-13-19-17-23(29(34)36-26(19)18-20)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056110 (CHEMBL3327246) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O4/c1-37-22-15-16-28-21(19-22)20-25(31(36)38-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056111 (CHEMBL3327247) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O3/c1-21-15-16-28-22(19-21)20-25(31(36)37-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056118 (CHEMBL3326711) Show SMILES COc1ccc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C31H35N3O4/c1-37-22-16-15-21-19-25(31(36)38-28(21)20-22)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056120 (CHEMBL3326708) Show SMILES COc1cc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C31H35N3O5/c1-37-27-18-20-17-23(31(36)39-26(20)19-28(27)38-2)30(35)33-16-10-4-3-9-15-32-29-21-11-5-7-13-24(21)34-25-14-8-6-12-22(25)29/h5,7,11,13,17-19H,3-4,6,8-10,12,14-16H2,1-2H3,(H,32,34)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056109 (CHEMBL3326709) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H30F3N3O4/c31-30(32,33)40-20-13-14-26-19(17-20)18-23(29(38)39-26)28(37)35-16-8-2-1-7-15-34-27-21-9-3-5-11-24(21)36-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,1-2,4,6-8,10,12,15-16H2,(H,34,36)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					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	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056111 (CHEMBL3327247) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O3/c1-21-15-16-28-22(19-21)20-25(31(36)37-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056112 (CHEMBL3326702) Show SMILES COc1cc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C30H33N3O5/c1-36-26-17-19-16-22(30(35)38-25(19)18-27(26)37-2)29(34)32-15-9-3-8-14-31-28-20-10-4-6-12-23(20)33-24-13-7-5-11-21(24)28/h4,6,10,12,16-18H,3,5,7-9,11,13-15H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056123 (CHEMBL3326703) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H28F3N3O4/c30-29(31,32)39-19-12-13-25-18(16-19)17-22(28(37)38-25)27(36)34-15-7-1-6-14-33-26-20-8-2-4-10-23(20)35-24-11-5-3-9-21(24)26/h2,4,8,10,12-13,16-17H,1,3,5-7,9,11,14-15H2,(H,33,35)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056116 (CHEMBL3327249) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H32F3N3O4/c32-31(33,34)41-21-14-15-27-20(18-21)19-24(30(39)40-27)29(38)36-17-9-3-1-2-8-16-35-28-22-10-4-6-12-25(22)37-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,35,37)(H,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056117 (CHEMBL3327248) Show SMILES COc1cc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C32H37N3O5/c1-38-28-19-21-18-24(32(37)40-27(21)20-29(28)39-2)31(36)34-17-11-5-3-4-10-16-33-30-22-12-6-8-14-25(22)35-26-15-9-7-13-23(26)30/h6,8,12,14,18-20H,3-5,7,9-11,13,15-17H2,1-2H3,(H,33,35)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (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 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 Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transf...				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50056107 (CHEMBL3326704) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C29H31N3O3/c33-28(23-19-20-11-3-8-16-26(20)35-29(23)34)31-18-10-2-1-9-17-30-27-21-12-4-6-14-24(21)32-25-15-7-5-13-22(25)27/h3-4,6,8,11-12,14,16,19H,1-2,5,7,9-10,13,15,17-18H2,(H,30,32)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transf...				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50056110 (CHEMBL3327246) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O4/c1-37-22-15-16-28-21(19-22)20-25(31(36)38-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transf...				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50056109 (CHEMBL3326709) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H30F3N3O4/c31-30(32,33)40-20-13-14-26-19(17-20)18-23(29(38)39-26)28(37)35-16-8-2-1-7-15-34-27-21-9-3-5-11-24(21)36-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,1-2,4,6-8,10,12,15-16H2,(H,34,36)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transf...				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50056106 (CHEMBL3326698) Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C28H29N3O3/c32-27(22-18-19-10-2-7-15-25(19)34-28(22)33)30-17-9-1-8-16-29-26-20-11-3-5-13-23(20)31-24-14-6-4-12-21(24)26/h2-3,5,7,10-11,13,15,18H,1,4,6,8-9,12,14,16-17H2,(H,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transf...				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50056111 (CHEMBL3327247) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O3/c1-21-15-16-28-22(19-21)20-25(31(36)37-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transf...				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50056108 (CHEMBL3326707) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transf...				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair