Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50040867   

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 (Electrophorus electricus (Electric eel))	BDBM50401238 (CHEMBL2206895) Show SMILES COc1cc(ccc1O)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(11-13-21(22)30)23-19-12-10-15-6-2-3-7-17(15)26(19)32-27-24(23)25(28)18-8-4-5-9-20(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401247 (CHEMBL2206891) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccccc3)c12 Show InChI InChI=1S/C26H22N2O/c27-24-19-12-6-7-13-21(19)28-26-23(24)22(17-9-2-1-3-10-17)20-15-14-16-8-4-5-11-18(16)25(20)29-26/h1-5,8-11,14-15,22H,6-7,12-13H2,(H2,27,28)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401238 (CHEMBL2206895) Show SMILES COc1cc(ccc1O)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(11-13-21(22)30)23-19-12-10-15-6-2-3-7-17(15)26(19)32-27-24(23)25(28)18-8-4-5-9-20(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)	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	330	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					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	350	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401243 (CHEMBL2206896) Show SMILES COc1ccc(C2c3ccc4ccccc4c3Oc3nc4CCCCc4c(N)c23)c(OC)c1 Show InChI InChI=1S/C28H26N2O3/c1-31-17-12-14-20(23(15-17)32-2)24-21-13-11-16-7-3-4-8-18(16)27(21)33-28-25(24)26(29)19-9-5-6-10-22(19)30-28/h3-4,7-8,11-15,24H,5-6,9-10H2,1-2H3,(H2,29,30)	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	370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401246 (CHEMBL2206892) Show SMILES Cc1ccc(cc1)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O/c1-16-10-12-18(13-11-16)23-21-15-14-17-6-2-3-7-19(17)26(21)30-27-24(23)25(28)20-8-4-5-9-22(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401248 (CHEMBL252380) Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN3O2/c1-3-28-22(27)17-12(2)25-21-19(18(17)13-8-10-14(23)11-9-13)20(24)15-6-4-5-7-16(15)26-21/h8-11H,3-7H2,1-2H3,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401242 (CHEMBL2206897) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C29H28N2O4/c1-32-22-14-17(15-23(33-2)28(22)34-3)24-20-13-12-16-8-4-5-9-18(16)27(20)35-29-25(24)26(30)19-10-6-7-11-21(19)31-29/h4-5,8-9,12-15,24H,6-7,10-11H2,1-3H3,(H2,30,31)	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	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401240 (CHEMBL2206899) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3c(Cl)cccc3Cl)c12 Show InChI InChI=1S/C26H20Cl2N2O/c27-18-9-5-10-19(28)22(18)21-17-13-12-14-6-1-2-7-15(14)25(17)31-26-23(21)24(29)16-8-3-4-11-20(16)30-26/h1-2,5-7,9-10,12-13,21H,3-4,8,11H2,(H2,29,30)	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	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401244 (CHEMBL2206894) Show SMILES COc1ccccc1C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O2/c1-30-22-13-7-5-11-19(22)23-20-15-14-16-8-2-3-9-17(16)26(20)31-27-24(23)25(28)18-10-4-6-12-21(18)29-27/h2-3,5,7-9,11,13-15,23H,4,6,10,12H2,1H3,(H2,28,29)	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	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401239 (CHEMBL2206900) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C26H20Cl2N2O/c27-19-12-10-15(13-20(19)28)22-18-11-9-14-5-1-2-6-16(14)25(18)31-26-23(22)24(29)17-7-3-4-8-21(17)30-26/h1-2,5-6,9-13,22H,3-4,7-8H2,(H2,29,30)	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	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401241 (CHEMBL2206898) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C26H21N3O3/c27-24-19-7-3-4-8-21(19)28-26-23(24)22(16-9-12-17(13-10-16)29(30)31)20-14-11-15-5-1-2-6-18(15)25(20)32-26/h1-2,5-6,9-14,22H,3-4,7-8H2,(H2,27,28)	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	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401245 (CHEMBL2206893) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(O)cc3)c12 Show InChI InChI=1S/C26H22N2O2/c27-24-19-7-3-4-8-21(19)28-26-23(24)22(16-9-12-17(29)13-10-16)20-14-11-15-5-1-2-6-18(15)25(20)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)	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	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401244 (CHEMBL2206894) Show SMILES COc1ccccc1C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O2/c1-30-22-13-7-5-11-19(22)23-20-15-14-16-8-2-3-9-17(16)26(20)31-27-24(23)25(28)18-10-4-6-12-21(18)29-27/h2-3,5,7-9,11,13-15,23H,4,6,10,12H2,1H3,(H2,28,29)	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	9.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401247 (CHEMBL2206891) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccccc3)c12 Show InChI InChI=1S/C26H22N2O/c27-24-19-12-6-7-13-21(19)28-26-23(24)22(17-9-2-1-3-10-17)20-15-14-16-8-4-5-11-18(16)25(20)29-26/h1-5,8-11,14-15,22H,6-7,12-13H2,(H2,27,28)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401243 (CHEMBL2206896) Show SMILES COc1ccc(C2c3ccc4ccccc4c3Oc3nc4CCCCc4c(N)c23)c(OC)c1 Show InChI InChI=1S/C28H26N2O3/c1-31-17-12-14-20(23(15-17)32-2)24-21-13-11-16-7-3-4-8-18(16)27(21)33-28-25(24)26(29)19-9-5-6-10-22(19)30-28/h3-4,7-8,11-15,24H,5-6,9-10H2,1-2H3,(H2,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401242 (CHEMBL2206897) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C29H28N2O4/c1-32-22-14-17(15-23(33-2)28(22)34-3)24-20-13-12-16-8-4-5-9-18(16)27(20)35-29-25(24)26(30)19-10-6-7-11-21(19)31-29/h4-5,8-9,12-15,24H,6-7,10-11H2,1-3H3,(H2,30,31)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401241 (CHEMBL2206898) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C26H21N3O3/c27-24-19-7-3-4-8-21(19)28-26-23(24)22(16-9-12-17(13-10-16)29(30)31)20-14-11-15-5-1-2-6-18(15)25(20)32-26/h1-2,5-6,9-14,22H,3-4,7-8H2,(H2,27,28)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401240 (CHEMBL2206899) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3c(Cl)cccc3Cl)c12 Show InChI InChI=1S/C26H20Cl2N2O/c27-18-9-5-10-19(28)22(18)21-17-13-12-14-6-1-2-7-15(14)25(17)31-26-23(21)24(29)16-8-3-4-11-20(16)30-26/h1-2,5-7,9-10,12-13,21H,3-4,8,11H2,(H2,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401245 (CHEMBL2206893) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(O)cc3)c12 Show InChI InChI=1S/C26H22N2O2/c27-24-19-7-3-4-8-21(19)28-26-23(24)22(16-9-12-17(29)13-10-16)20-14-11-15-5-1-2-6-18(15)25(20)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401239 (CHEMBL2206900) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C26H20Cl2N2O/c27-19-12-10-15(13-20(19)28)22-18-11-9-14-5-1-2-6-16(14)25(18)31-26-23(22)24(29)17-7-3-4-8-21(17)30-26/h1-2,5-6,9-13,22H,3-4,7-8H2,(H2,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401246 (CHEMBL2206892) Show SMILES Cc1ccc(cc1)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O/c1-16-10-12-18(13-11-16)23-21-15-14-17-6-2-3-7-19(17)26(21)30-27-24(23)25(28)20-8-4-5-9-22(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401238 (CHEMBL2206895) Show SMILES COc1cc(ccc1O)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(11-13-21(22)30)23-19-12-10-15-6-2-3-7-17(15)26(19)32-27-24(23)25(28)18-8-4-5-9-20(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair