Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'bolea tomás' and Initial = 'i'   

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
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)
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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	27	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/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;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	310	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM153654 (US8999994, 6) Show SMILES ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O.C15H22ClN/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;16-10-4-7-14-8-11-17(12-9-14)13-15-5-2-1-3-6-15/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3;1-3,5-6,14H,4,7-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	350	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	420	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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM153654 (US8999994, 6) Show SMILES ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O.C15H22ClN/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;16-10-4-7-14-8-11-17(12-9-14)13-15-5-2-1-3-6-15/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3;1-3,5-6,14H,4,7-13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	460	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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	800	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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/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;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	990	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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	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
Carboxylic ester hydrolase (Equus caballus (Horse))	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/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10E+3	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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50359393 (CHEMBL1926712 | US8999994, 2) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20E+3	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] A (Rattus norvegicus (rat))	BDBM153654 (US8999994, 6) Show SMILES ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O.C15H22ClN/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;16-10-4-7-14-8-11-17(12-9-14)13-15-5-2-1-3-6-15/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3;1-3,5-6,14H,4,7-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					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	US Patent	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	7.40E+3	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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50359392 (CHEMBL1929424 | US8999994, 3) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.60E+3	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] A (Rattus norvegicus (rat))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/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;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359393 (CHEMBL1926712 | US8999994, 2) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.81E+4	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] A (Rattus norvegicus (rat))	BDBM50359392 (CHEMBL1929424 | US8999994, 3) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				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))	BDBM153654 (US8999994, 6) Show SMILES ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O.C15H22ClN/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;16-10-4-7-14-8-11-17(12-9-14)13-15-5-2-1-3-6-15/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3;1-3,5-6,14H,4,7-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.31E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359393 (CHEMBL1926712 | US8999994, 2) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.54E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.22E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359392 (CHEMBL1929424 | US8999994, 3) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+5	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+5	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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.43E+5	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				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))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.45E+5	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				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))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.46E+6	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				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))	BDBM50359392 (CHEMBL1929424 | US8999994, 3) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.64E+6	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				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))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/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;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.77E+6	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				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))	BDBM50359393 (CHEMBL1926712 | US8999994, 2) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.13E+7	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.54E+7	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	8.55E+8	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair