Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'di pietro' and Initial = 'o'   

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))	BDBM50049862 (CHEMBL3322232) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43)	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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10592 (7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50049859 (CHEMBL3322231) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H43Cl2N5O/c41-28-16-13-26(14-17-28)37-32-11-9-23-44-39(32)33-24-27(15-20-35(33)47-37)40(48)45-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)46-36-25-29(42)18-19-31(36)38/h13-20,24-25,44H,1-12,21-23H2,(H,43,46)(H,45,48)	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50023607 (CHEMBL3355579) Show SMILES COc1cc(CCC(=O)\C=C\CCCNc2c3C4CC(CC(C)=C4)Cc3nc3cc(Cl)ccc23)ccc1O |c:22| Show InChI InChI=1S/C32H35ClN2O3/c1-20-14-22-16-23(15-20)31-28(17-22)35-27-19-24(33)9-11-26(27)32(31)34-13-5-3-4-6-25(36)10-7-21-8-12-29(37)30(18-21)38-2/h4,6,8-9,11-12,15,18-19,22-23,37H,3,5,7,10,13-14,16-17H2,1-2H3,(H,34,35)/b6-4+	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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50049861 (CHEMBL3322233) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C36H35Cl2N5O/c37-24-12-9-22(10-13-24)33-28-7-5-19-40-35(28)29-20-23(11-16-31(29)43-33)36(44)41-18-4-3-17-39-34-26-6-1-2-8-30(26)42-32-21-25(38)14-15-27(32)34/h9-16,20-21,40H,1-8,17-19H2,(H,39,42)(H,41,44)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50049860 (CHEMBL3322234) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C37H37Cl2N5O/c38-25-13-10-23(11-14-25)34-29-8-6-20-41-36(29)30-21-24(12-17-32(30)44-34)37(45)42-19-5-1-4-18-40-35-27-7-2-3-9-31(27)43-33-22-26(39)15-16-28(33)35/h10-17,21-22,41H,1-9,18-20H2,(H,40,43)(H,42,45)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50023606 (CHEMBL3355580) Show SMILES COc1cc(CCC(=O)\C=C\c2ccc(CNc3c4C5CC(CC(C)=C5)Cc4nc4cc(Cl)ccc34)cc2)ccc1O |c:24| Show InChI InChI=1S/C36H35ClN2O3/c1-22-15-26-17-27(16-22)35-32(18-26)39-31-20-28(37)10-13-30(31)36(35)38-21-25-5-3-23(4-6-25)7-11-29(40)12-8-24-9-14-33(41)34(19-24)42-2/h3-7,9-11,13-14,16,19-20,26-27,41H,8,12,15,17-18,21H2,1-2H3,(H,38,39)/b11-7+	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	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...				Bioorg Med Chem 24: 4835-4854 (2016) Article DOI: 10.1016/j.bmc.2016.06.045 BindingDB Entry DOI: 10.7270/Q2028W20
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...				Bioorg Med Chem 24: 4835-4854 (2016) Article DOI: 10.1016/j.bmc.2016.06.045 BindingDB Entry DOI: 10.7270/Q2028W20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50023605 (CHEMBL3355581) Show SMILES COc1cc(CCC(=O)\C=C\c2ccc(CNc3c4C5CC(CC(C)=C5)Cc4nc4cc(Cl)ccc34)cc2)cc(CN(C)C)c1O |c:24| Show InChI InChI=1S/C39H42ClN3O3/c1-24-15-28-18-29(16-24)37-35(19-28)42-34-21-31(40)11-14-33(34)38(37)41-22-26-7-5-25(6-8-26)9-12-32(44)13-10-27-17-30(23-43(2)3)39(45)36(20-27)46-4/h5-9,11-12,14,16-17,20-21,28-29,45H,10,13,15,18-19,22-23H2,1-4H3,(H,41,42)/b12-9+	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	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448131 (CHEMBL3122167) Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50448131 (CHEMBL3122167) Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(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	65	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049862 (CHEMBL3322232) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448132 (CHEMBL3122150) Show SMILES CCNCc1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1 Show InChI InChI=1S/C28H28ClN3/c1-2-30-18-21-10-15-26-25(17-21)28-24(27(31-26)22-11-13-23(29)14-12-22)9-6-16-32(28)19-20-7-4-3-5-8-20/h3-5,7-8,10-15,17,30H,2,6,9,16,18-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448135 (CHEMBL3122166) Show SMILES CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCNc3c2c1 Show InChI InChI=1S/C20H19N3O2/c1-2-25-20(24)13-7-8-17-16(11-13)19-15(6-4-10-22-19)18(23-17)14-5-3-9-21-12-14/h3,5,7-9,11-12,22H,2,4,6,10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10592 (7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	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	175	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50023605 (CHEMBL3355581) Show SMILES COc1cc(CCC(=O)\C=C\c2ccc(CNc3c4C5CC(CC(C)=C5)Cc4nc4cc(Cl)ccc34)cc2)cc(CN(C)C)c1O |c:24| Show InChI InChI=1S/C39H42ClN3O3/c1-24-15-28-18-29(16-24)37-35(19-28)42-34-21-31(40)11-14-33(34)38(37)41-22-26-7-5-25(6-8-26)9-12-32(44)13-10-27-17-30(23-43(2)3)39(45)36(20-27)46-4/h5-9,11-12,14,16-17,20-21,28-29,45H,10,13,15,18-19,22-23H2,1-4H3,(H,41,42)/b12-9+	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	181	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049861 (CHEMBL3322233) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C36H35Cl2N5O/c37-24-12-9-22(10-13-24)33-28-7-5-19-40-35(28)29-20-23(11-16-31(29)43-33)36(44)41-18-4-3-17-39-34-26-6-1-2-8-30(26)42-32-21-25(38)14-15-27(32)34/h9-16,20-21,40H,1-8,17-19H2,(H,39,42)(H,41,44)	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	205	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448138 (CHEMBL3122147) Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H19ClN2O2/c1-2-26-21(25)14-7-10-18-17(12-14)20-16(4-3-11-23-20)19(24-18)13-5-8-15(22)9-6-13/h5-10,12,23H,2-4,11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	281	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049859 (CHEMBL3322231) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H43Cl2N5O/c41-28-16-13-26(14-17-28)37-32-11-9-23-44-39(32)33-24-27(15-20-35(33)47-37)40(48)45-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)46-36-25-29(42)18-19-31(36)38/h13-20,24-25,44H,1-12,21-23H2,(H,43,46)(H,45,48)	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	286	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049860 (CHEMBL3322234) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C37H37Cl2N5O/c38-25-13-10-23(11-14-25)34-29-8-6-20-41-36(29)30-21-24(12-17-32(30)44-34)37(45)42-19-5-1-4-18-40-35-27-7-2-3-9-31(27)43-33-22-26(39)15-16-28(33)35/h10-17,21-22,41H,1-9,18-20H2,(H,40,43)(H,42,45)	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	337	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499520 (CHEMBL3741559) Show SMILES NCc1ccc(cc1)-c1nc2cc(Cl)ccc2c2NCCCc12 Show InChI InChI=1S/C19H18ClN3/c20-14-7-8-15-17(10-14)23-18(16-2-1-9-22-19(15)16)13-5-3-12(11-21)4-6-13/h3-8,10,22H,1-2,9,11,21H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50536264 (CHEMBL4592550) Show SMILES CN(CC#C)Cc1ccc(Cc2cn(C)nn2)cc1 Show InChI InChI=1S/C15H18N4/c1-4-9-18(2)11-14-7-5-13(6-8-14)10-15-12-19(3)17-16-15/h1,5-8,12H,9-11H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...				Bioorg Med Chem 24: 4835-4854 (2016) Article DOI: 10.1016/j.bmc.2016.06.045 BindingDB Entry DOI: 10.7270/Q2028W20
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448130 (CHEMBL3122168) Show SMILES CCNCc1ccc2nc(c3CCCNc3c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3/c1-2-23-13-14-5-10-19-18(12-14)21-17(4-3-11-24-21)20(25-19)15-6-8-16(22)9-7-15/h5-10,12,23-24H,2-4,11,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	532	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50536264 (CHEMBL4592550) Show SMILES CN(CC#C)Cc1ccc(Cc2cn(C)nn2)cc1 Show InChI InChI=1S/C15H18N4/c1-4-9-18(2)11-14-7-5-13(6-8-14)10-15-12-19(3)17-16-15/h1,5-8,12H,9-11H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...				Bioorg Med Chem 24: 4835-4854 (2016) Article DOI: 10.1016/j.bmc.2016.06.045 BindingDB Entry DOI: 10.7270/Q2028W20
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50023606 (CHEMBL3355580) Show SMILES COc1cc(CCC(=O)\C=C\c2ccc(CNc3c4C5CC(CC(C)=C5)Cc4nc4cc(Cl)ccc34)cc2)ccc1O |c:24| Show InChI InChI=1S/C36H35ClN2O3/c1-22-15-26-17-27(16-22)35-32(18-26)39-31-20-28(37)10-13-30(31)36(35)38-21-25-5-3-23(4-6-25)7-11-29(40)12-8-24-9-14-33(41)34(19-24)42-2/h3-7,9-11,13-14,16,19-20,26-27,41H,8,12,15,17-18,21H2,1-2H3,(H,38,39)/b11-7+	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	742	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499519 (CHEMBL3740980) Show SMILES NCc1ccc(cc1)-c1nc2ccc(Cl)cc2c2NCCc12 Show InChI InChI=1S/C18H16ClN3/c19-13-5-6-16-15(9-13)18-14(7-8-21-18)17(22-16)12-3-1-11(10-20)2-4-12/h1-6,9,21H,7-8,10,20H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50448131 (CHEMBL3122167) Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(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	920	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499526 (CHEMBL3742126) Show SMILES NCc1ccc(cc1)-c1nc2ccc(Cl)cc2c2NCCCc12 Show InChI InChI=1S/C19H18ClN3/c20-14-7-8-17-16(10-14)19-15(2-1-9-22-19)18(23-17)13-5-3-12(11-21)4-6-13/h3-8,10,22H,1-2,9,11,21H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50023607 (CHEMBL3355579) Show SMILES COc1cc(CCC(=O)\C=C\CCCNc2c3C4CC(CC(C)=C4)Cc3nc3cc(Cl)ccc23)ccc1O |c:22| Show InChI InChI=1S/C32H35ClN2O3/c1-20-14-22-16-23(15-20)31-28(17-22)35-27-19-24(33)9-11-26(27)32(31)34-13-5-3-4-6-25(36)10-7-21-8-12-29(37)30(18-21)38-2/h4,6,8-9,11-12,15,18-19,22-23,37H,3,5,7,10,13-14,16-17H2,1-2H3,(H,34,35)/b6-4+	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	982	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide preincubated for 20 mins before substrate addition by Ellman method				Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499516 (CHEMBL3739725) Show SMILES NCc1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1 Show InChI InChI=1S/C26H24ClN3/c27-21-11-9-20(10-12-21)25-22-7-4-14-30(17-18-5-2-1-3-6-18)26(22)23-15-19(16-28)8-13-24(23)29-25/h1-3,5-6,8-13,15H,4,7,14,16-17,28H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499524 (CHEMBL3741060) Show SMILES Clc1ccc2nc(-c3ccc(cc3)C#N)c3CCCNc3c2c1 Show InChI InChI=1S/C19H14ClN3/c20-14-7-8-17-16(10-14)19-15(2-1-9-22-19)18(23-17)13-5-3-12(11-21)4-6-13/h3-8,10,22H,1-2,9H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499517 (CHEMBL3739464) Show SMILES Clc1ccc2nc(c3CCNc3c2c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C18H12ClN3/c19-13-5-6-16-15(9-13)18-14(7-8-21-18)17(22-16)12-3-1-11(10-20)2-4-12/h1-6,9,21H,7-8H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499525 (CHEMBL3740568) Show SMILES NCc1ccc(cc1)-c1nc2ccc(Cl)cc2c2NCCCCc12 Show InChI InChI=1S/C20H20ClN3/c21-15-8-9-18-17(11-15)20-16(3-1-2-10-23-20)19(24-18)14-6-4-13(12-22)5-7-14/h4-9,11,23H,1-3,10,12,22H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448140 (CHEMBL3122145) Show SMILES CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCN(Cc4ccccc4)c3c2c1 Show InChI InChI=1S/C27H25N3O2/c1-2-32-27(31)20-12-13-24-23(16-20)26-22(25(29-24)21-10-6-14-28-17-21)11-7-15-30(26)18-19-8-4-3-5-9-19/h3-6,8-10,12-14,16-17H,2,7,11,15,18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...				Bioorg Med Chem 24: 4835-4854 (2016) Article DOI: 10.1016/j.bmc.2016.06.045 BindingDB Entry DOI: 10.7270/Q2028W20
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50536257 (CHEMBL4577856) Show SMILES CN(CC#C)Cc1cccc(Cc2cn(C)nn2)c1 Show InChI InChI=1S/C15H18N4/c1-4-8-18(2)11-14-7-5-6-13(9-14)10-15-12-19(3)17-16-15/h1,5-7,9,12H,8,10-11H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...				Bioorg Med Chem 24: 4835-4854 (2016) Article DOI: 10.1016/j.bmc.2016.06.045 BindingDB Entry DOI: 10.7270/Q2028W20
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448134 (CHEMBL3122169) Show SMILES CCNCc1ccc2nc(c3CCCNc3c2c1)-c1cccnc1 Show InChI InChI=1S/C20H22N4/c1-2-21-12-14-7-8-18-17(11-14)20-16(6-4-10-23-20)19(24-18)15-5-3-9-22-13-15/h3,5,7-9,11,13,21,23H,2,4,6,10,12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499518 (CHEMBL3740006) Show SMILES Clc1ccc2nc(-c3ccc(cc3)C#N)c3CCCCNc3c2c1 Show InChI InChI=1S/C20H16ClN3/c21-15-8-9-18-17(11-15)20-16(3-1-2-10-23-20)19(24-18)14-6-4-13(12-22)5-7-14/h4-9,11,23H,1-3,10H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499521 (CHEMBL3741468) Show SMILES Clc1ccc2nc(-c3ccc(cc3)C#N)c3CCCOc3c2c1 Show InChI InChI=1S/C19H13ClN2O/c20-14-7-8-17-16(10-14)19-15(2-1-9-23-19)18(22-17)13-5-3-12(11-21)4-6-13/h3-8,10H,1-2,9H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499515 (CHEMBL3741946) Show SMILES Clc1ccc2c3NCCCc3c(nc2c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C19H14ClN3/c20-14-7-8-15-17(10-14)23-18(16-2-1-9-22-19(15)16)13-5-3-12(11-21)4-6-13/h3-8,10,22H,1-2,9H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50536260 (CHEMBL4527885) Show SMILES CN(CCc1cn(Cc2ccccc2)nn1)CC#C Show InChI InChI=1S/C15H18N4/c1-3-10-18(2)11-9-15-13-19(17-16-15)12-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...				Bioorg Med Chem 24: 4835-4854 (2016) Article DOI: 10.1016/j.bmc.2016.06.045 BindingDB Entry DOI: 10.7270/Q2028W20
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499528 (CHEMBL3741859) Show SMILES NCc1ccc(cc1)-c1nc2ccc(Cl)cc2c2N(Cc3ccccc3)CCCc12 Show InChI InChI=1S/C26H24ClN3/c27-21-12-13-24-23(15-21)26-22(25(29-24)20-10-8-18(16-28)9-11-20)7-4-14-30(26)17-19-5-2-1-3-6-19/h1-3,5-6,8-13,15H,4,7,14,16-17,28H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50536263 (CHEMBL4533245) Show SMILES CN(CCc1ccc(Cc2cn(C)nn2)cc1)CC#C Show InChI InChI=1S/C16H20N4/c1-4-10-19(2)11-9-14-5-7-15(8-6-14)12-16-13-20(3)18-17-16/h1,5-8,13H,9-12H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red flu...				Bioorg Med Chem 24: 4835-4854 (2016) Article DOI: 10.1016/j.bmc.2016.06.045 BindingDB Entry DOI: 10.7270/Q2028W20
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448133 (CHEMBL3122170) Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCC(=O)N(Cc4ccccc4)c3c2c1 Show InChI InChI=1S/C28H23ClN2O3/c1-2-34-28(33)20-10-14-24-23(16-20)27-22(26(30-24)19-8-11-21(29)12-9-19)13-15-25(32)31(27)17-18-6-4-3-5-7-18/h3-12,14,16H,2,13,15,17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448136 (CHEMBL3122149) Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1 Show InChI InChI=1S/C28H26ClN3O/c1-2-30-28(33)21-12-15-25-24(17-21)27-23(26(31-25)20-10-13-22(29)14-11-20)9-6-16-32(27)18-19-7-4-3-5-8-19/h3-5,7-8,10-15,17H,2,6,9,16,18H2,1H3,(H,30,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair

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