Compile Data Set for Download or QSAR

Found 657 hits with Last Name = 'samadi' and Initial = 'a'   

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))	BDBM50340109 (CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...) Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12 Show InChI InChI=1S/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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 inhibition of Electrophorus electricus acetylcholinesterase using acetylcholine as substrate by Ellman's method				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Non-competitive inhibition of rat liver mitochondrial MAO-B using phenylethylamine as substrate by Line-Weaver Burk plot analysis				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	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
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of AChE (unknown orign) by Lineweaver-Burke plot				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448214 (CHEMBL3120707) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for ...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50381952 (CHEMBL2022933) Show SMILES Nc1c2CN(CC#C)CCc2nc2nc(N3CCCC3)c(cc12)C#N Show InChI InChI=1S/C19H20N6/c1-2-6-24-9-5-16-15(12-24)17(21)14-10-13(11-20)19(23-18(14)22-16)25-7-3-4-8-25/h1,10H,3-9,12H2,(H2,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Mixed type inhibition of Electrophorus electricus AchE using acetylthiocholine as substrate by Line-Weaver Burk plot analysis				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50384793 (CHEMBL2037384) Show SMILES CC(=O)Nc1nn(C)c2nc3nc4CCCCc4c(N)c3cc12 Show InChI InChI=1S/C16H18N6O/c1-8(23)18-15-11-7-10-13(17)9-5-3-4-6-12(9)19-14(10)20-16(11)22(2)21-15/h7H,3-6H2,1-2H3,(H2,17,19,20)(H,18,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 4676-81 (2011) Article DOI: 10.1016/j.ejmech.2011.05.068 BindingDB Entry DOI: 10.7270/Q24T6KDT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50357943 (CHEMBL1916768) Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	621	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Mixed-type inhibition of Electrophorus electricus AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 6119-30 (2011) Article DOI: 10.1016/j.ejmech.2011.09.038 BindingDB Entry DOI: 10.7270/Q27M08BS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Reversible inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50381961 (CHEMBL2022928) Show SMILES CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C21H22N2O/c1-3-4-12-23(2)15-19-13-18-14-20(10-11-21(18)22-19)24-16-17-8-6-5-7-9-17/h5-11,13-14,22H,12,15-16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM31904 (CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...) Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Binding affinity to Electrophorus electricus AChE peripheral anionic site				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM31904 (CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...) Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Binding affinity to Electrophorus electricus AChE peripheral anionic site				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324068 (2-Chloro-6-(piperidin-1-yl)pyridine-3,5-dicarbonit...) Show SMILES Clc1nc(N2CCCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C12H11ClN4/c13-11-9(7-14)6-10(8-15)12(16-11)17-4-2-1-3-5-17/h6H,1-5H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Non competitive inhibition of Electrophorus electricus AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50381960 (CHEMBL2022927) Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C20H20N2O/c1-3-11-22(2)14-18-12-17-13-19(9-10-20(17)21-18)23-15-16-7-5-4-6-8-16/h1,4-10,12-13,21H,11,14-15H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381960 (CHEMBL2022927) Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C20H20N2O/c1-3-11-22(2)14-18-12-17-13-19(9-10-20(17)21-18)23-15-16-7-5-4-6-8-16/h1,4-10,12-13,21H,11,14-15H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50087800 ((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...) Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	8.0	n/a
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an elect...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE by Ellman's method				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Université de Franche-Comté Curated by ChEMBL					Assay Description Inhibition of horse serum BChE after 15 mins by Ellman's method				Eur J Med Chem 46: 1-10 (2010) Article DOI: 10.1016/j.ejmech.2010.08.054 BindingDB Entry DOI: 10.7270/Q2NZ87X6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method				Eur J Med Chem 46: 6119-30 (2011) Article DOI: 10.1016/j.ejmech.2011.09.038 BindingDB Entry DOI: 10.7270/Q27M08BS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method				Eur J Med Chem 46: 4676-81 (2011) Article DOI: 10.1016/j.ejmech.2011.05.068 BindingDB Entry DOI: 10.7270/Q24T6KDT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50069802 (CHEMBL3407581) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University 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 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359396 (CHEMBL1929420 | US8999994, 5) Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	8.0	n/a
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an elect...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340109 (CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...) Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12 Show InChI InChI=1S/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448218 (CHEMBL3120710) Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(Br)cc3)c12 Show InChI InChI=1S/C22H19BrN2O2/c23-13-7-5-12(6-8-13)19-16-10-9-14(26)11-18(16)27-22-20(19)21(24)15-3-1-2-4-17(15)25-22/h5-11,19,26H,1-4H2,(H2,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM36552 (Prochelators, 2) Show SMILES CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12 Show InChI InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of rat MAO-A				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes by Ellman's method				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50391207 (CHEMBL2088785) Show SMILES Nc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C22H26N6/c23-14-19-13-20(15-24)22(27-21(19)25)26-10-4-7-17-8-11-28(12-9-17)16-18-5-2-1-3-6-18/h1-3,5-6,13,17H,4,7-12,16H2,(H3,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Org£nica General (CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method				Eur J Med Chem 57: 296-301 (2012) Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Org£nica General (CSIC) Curated by ChEMBL					Assay Description Inhibition of purified human erythrocyte AChE using acetylcholine as substrate by Ellman's method				Eur J Med Chem 67: 64-74 (2013) Article DOI: 10.1016/j.ejmech.2013.06.021 BindingDB Entry DOI: 10.7270/Q2KW5JZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359395 (CHEMBL1929422) Show SMILES CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Org£nica General (CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method				Eur J Med Chem 57: 296-301 (2012) Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50493231 (CHEMBL2419688) Show SMILES Clc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C23H26ClN5/c24-22-20(15-25)14-21(16-26)23(28-22)27-11-5-4-6-18-9-12-29(13-10-18)17-19-7-2-1-3-8-19/h1-3,7-8,14,18H,4-6,9-13,17H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Org£nica General (CSIC) Curated by ChEMBL					Assay Description Inhibition of purified human erythrocyte AChE using acetylcholine as substrate by Ellman's method				Eur J Med Chem 67: 64-74 (2013) Article DOI: 10.1016/j.ejmech.2013.06.021 BindingDB Entry DOI: 10.7270/Q2KW5JZX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica (IQOG, CSIC) 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 75: 82-95 (2014) Article DOI: 10.1016/j.ejmech.2013.12.028 BindingDB Entry DOI: 10.7270/Q22R3T4P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333148 (5-Amino-2-(dimethylamino)-6,7,8,9-tetrahydrobenzo[...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H17N5/c1-20(2)15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,3-6H2,1-2H3,(H2,17,18,19)	UniProtKB/SwissProt 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
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340111 (CHEMBL1762829 | rac-14-(3'-Methoxyphenyl)-10,11,12...) Show SMILES COc1cccc(c1)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O2/c1-30-18-9-6-8-17(15-18)23-24-19-10-3-2-7-16(19)13-14-22(24)31-27-25(23)26(28)20-11-4-5-12-21(20)29-27/h2-3,6-10,13-15,23H,4-5,11-12H2,1H3,(H2,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					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
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair

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