Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'carmo carreiras' and Initial = 'm'   

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))	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))	BDBM50541071 (CHEMBL4528766) Show SMILES CN(CC#C)c1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C27H32N6/c1-3-15-32(2)27-25(20-29)18-24(19-28)26(31-27)30-14-8-7-9-22-12-16-33(17-13-22)21-23-10-5-4-6-11-23/h1,4-6,10-11,18,22H,7-9,12-17,21H2,2H3,(H,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50541069 (CHEMBL4635389) Show SMILES COc1cc2cc(CN(C)CC#C)c(=O)oc2cc1OC Show InChI InChI=1S/C16H17NO4/c1-5-6-17(2)10-12-7-11-8-14(19-3)15(20-4)9-13(11)21-16(12)18/h1,7-9H,6,10H2,2-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of rat MAO B using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					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))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human MAO A				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50541052 (CHEMBL4632951) Show SMILES Clc1ccc2c(NCC#C)c3CCCCc3nc2c1 Show InChI InChI=1S/C16H15ClN2/c1-2-9-18-16-12-5-3-4-6-14(12)19-15-10-11(17)7-8-13(15)16/h1,7-8,10H,3-6,9H2,(H,18,19)	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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 min inter...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50541052 (CHEMBL4632951) Show SMILES Clc1ccc2c(NCC#C)c3CCCCc3nc2c1 Show InChI InChI=1S/C16H15ClN2/c1-2-9-18-16-12-5-3-4-6-14(12)19-15-10-11(17)7-8-13(15)16/h1,7-8,10H,3-6,9H2,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					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	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of electric eel AChE 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50541051 (CHEMBL4633540) Show SMILES C#CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C16H16N2/c1-2-11-17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h1,3,5,7,9H,4,6,8,10-11H2,(H,17,18)	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 min inter...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					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	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50541051 (CHEMBL4633540) Show SMILES C#CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C16H16N2/c1-2-11-17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h1,3,5,7,9H,4,6,8,10-11H2,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					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	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of electric eel AChE 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
Cholinesterase (Equus caballus (Horse))	BDBM50541051 (CHEMBL4633540) Show SMILES C#CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C16H16N2/c1-2-11-17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h1,3,5,7,9H,4,6,8,10-11H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50541052 (CHEMBL4632951) Show SMILES Clc1ccc2c(NCC#C)c3CCCCc3nc2c1 Show InChI InChI=1S/C16H15ClN2/c1-2-9-18-16-12-5-3-4-6-14(12)19-15-10-11(17)7-8-13(15)16/h1,7-8,10H,3-6,9H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human MAO B				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50541068 (CHEMBL4648667) Show SMILES COc1ccc2cc(CN(C)CC#C)c(=O)oc2c1 Show InChI InChI=1S/C15H15NO3/c1-4-7-16(2)10-12-8-11-5-6-13(18-3)9-14(11)19-15(12)17/h1,5-6,8-9H,7,10H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of rat MAO B using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50541054 (CHEMBL4637721) Show SMILES C#CCNCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C18H21N3/c1-2-11-19-12-13-20-18-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)18/h1,3,5,7,9,19H,4,6,8,10-13H2,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50384792 (CHEMBL2037385) Show SMILES CC(=O)Nc1nn(C)c2nc3nc4CCCCc4c(N)c3c(-c3ccccc3)c12 Show InChI InChI=1S/C22H22N6O/c1-12(29)24-21-18-16(13-8-4-3-5-9-13)17-19(23)14-10-6-7-11-15(14)25-20(17)26-22(18)28(2)27-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,23,25,26)(H,24,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of electric eel AChE 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
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541064 (CHEMBL4635698) Show SMILES O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NC(CSCC#C)C(=O)Nc1nc2ccccc2s1 Show InChI InChI=1S/C32H35N5O2S2/c1-2-20-40-21-27(31(39)37-32-36-26-16-9-10-17-28(26)41-32)35-29(38)18-4-3-11-19-33-30-22-12-5-7-14-24(22)34-25-15-8-6-13-23(25)30/h1,5,7,9-10,12,14,16-17,27H,3-4,6,8,11,13,15,18-21H2,(H,33,34)(H,35,38)(H,36,37,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541065 (CHEMBL4633417) Show SMILES Clc1ccc2c(NCCCC(=O)NC(CSCC#C)C(=O)Nc3nc4ccccc4s3)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H30ClN5O2S2/c1-2-16-39-18-25(29(38)36-30-35-23-10-5-6-11-26(23)40-30)34-27(37)12-7-15-32-28-20-8-3-4-9-22(20)33-24-17-19(31)13-14-21(24)28/h1,5-6,10-11,13-14,17,25H,3-4,7-9,12,15-16,18H2,(H,32,33)(H,34,37)(H,35,36,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541061 (CHEMBL4635342) Show SMILES Clc1ccc2c(NCCCC(=O)NC(CSCC=C)C(=O)Nc3nc4ccccc4s3)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H32ClN5O2S2/c1-2-16-39-18-25(29(38)36-30-35-23-10-5-6-11-26(23)40-30)34-27(37)12-7-15-32-28-20-8-3-4-9-22(20)33-24-17-19(31)13-14-21(24)28/h2,5-6,10-11,13-14,17,25H,1,3-4,7-9,12,15-16,18H2,(H,32,33)(H,34,37)(H,35,36,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541063 (CHEMBL4637185) Show SMILES O=C(CCCNc1c2CCCCc2nc2ccccc12)NC(CSCC#C)C(=O)Nc1nc2ccccc2s1 Show InChI InChI=1S/C30H31N5O2S2/c1-2-18-38-19-25(29(37)35-30-34-24-14-7-8-15-26(24)39-30)33-27(36)16-9-17-31-28-20-10-3-5-12-22(20)32-23-13-6-4-11-21(23)28/h1,3,5,7-8,10,12,14-15,25H,4,6,9,11,13,16-19H2,(H,31,32)(H,33,36)(H,34,35,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541066 (CHEMBL4641182) Show SMILES Clc1ccc2c(NCCCCCC(=O)NC(CSCC#C)C(=O)Nc3nc4ccccc4s3)c3CCCCc3nc2c1 Show InChI InChI=1S/C32H34ClN5O2S2/c1-2-18-41-20-27(31(40)38-32-37-25-12-7-8-13-28(25)42-32)36-29(39)14-4-3-9-17-34-30-22-10-5-6-11-24(22)35-26-19-21(33)15-16-23(26)30/h1,7-8,12-13,15-16,19,27H,3-6,9-11,14,17-18,20H2,(H,34,35)(H,36,39)(H,37,38,40)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541059 (CHEMBL4648566) Show SMILES C=CCSCC(NC(=O)CCCNc1c2CCCCc2nc2ccccc12)C(=O)Nc1nc2ccccc2s1 Show InChI InChI=1S/C30H33N5O2S2/c1-2-18-38-19-25(29(37)35-30-34-24-14-7-8-15-26(24)39-30)33-27(36)16-9-17-31-28-20-10-3-5-12-22(20)32-23-13-6-4-11-21(23)28/h2-3,5,7-8,10,12,14-15,25H,1,4,6,9,11,13,16-19H2,(H,31,32)(H,33,36)(H,34,35,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541060 (CHEMBL4642573) Show SMILES C=CCSCC(NC(=O)CCCCCNc1c2CCCCc2nc2ccccc12)C(=O)Nc1nc2ccccc2s1 Show InChI InChI=1S/C32H37N5O2S2/c1-2-20-40-21-27(31(39)37-32-36-26-16-9-10-17-28(26)41-32)35-29(38)18-4-3-11-19-33-30-22-12-5-7-14-24(22)34-25-15-8-6-13-23(25)30/h2,5,7,9-10,12,14,16-17,27H,1,3-4,6,8,11,13,15,18-21H2,(H,33,34)(H,35,38)(H,36,37,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541062 (CHEMBL4640059) Show SMILES Clc1ccc2c(NCCCCCC(=O)NC(CSCC=C)C(=O)Nc3nc4ccccc4s3)c3CCCCc3nc2c1 Show InChI InChI=1S/C32H36ClN5O2S2/c1-2-18-41-20-27(31(40)38-32-37-25-12-7-8-13-28(25)42-32)36-29(39)14-4-3-9-17-34-30-22-10-5-6-11-24(22)35-26-19-21(33)15-16-23(26)30/h2,7-8,12-13,15-16,19,27H,1,3-6,9-11,14,17-18,20H2,(H,34,35)(H,36,39)(H,37,38,40)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541057 (CHEMBL4639993) Show SMILES N[C@H](CSCC=C)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C22H29ClN4OS/c1-2-12-29-14-18(24)22(28)26-11-5-10-25-21-16-6-3-4-7-19(16)27-20-13-15(23)8-9-17(20)21/h2,8-9,13,18H,1,3-7,10-12,14,24H2,(H,25,27)(H,26,28)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50541055 (CHEMBL4647462) Show SMILES C#CCN(CCNc1c2CCCCc2nc2ccccc12)CC#C Show InChI InChI=1S/C21H23N3/c1-3-14-24(15-4-2)16-13-22-21-17-9-5-7-11-19(17)23-20-12-8-6-10-18(20)21/h1-2,5,7,9,11H,6,8,10,12-16H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50541055 (CHEMBL4647462) Show SMILES C#CCN(CCNc1c2CCCCc2nc2ccccc12)CC#C Show InChI InChI=1S/C21H23N3/c1-3-14-24(15-4-2)16-13-22-21-17-9-5-7-11-19(17)23-20-12-8-6-10-18(20)21/h1-2,5,7,9,11H,6,8,10,12-16H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50541067 (CHEMBL4638612) Show SMILES CN(CC#C)Cc1cc2ccccc2oc1=O Show InChI InChI=1S/C14H13NO2/c1-3-8-15(2)10-12-9-11-6-4-5-7-13(11)17-14(12)16/h1,4-7,9H,8,10H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of rat MAO B using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541058 (CHEMBL4639503) Show SMILES N[C@H](CSCC#C)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C22H27ClN4OS/c1-2-12-29-14-18(24)22(28)26-11-5-10-25-21-16-6-3-4-7-19(16)27-20-13-15(23)8-9-17(20)21/h1,8-9,13,18H,3-7,10-12,14,24H2,(H,25,27)(H,26,28)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50384794 (CHEMBL2037380) Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C#N Show InChI InChI=1S/C12H13N5/c1-17-9(6-13)10-11(14)7-4-2-3-5-8(7)15-12(10)16-17/h2-5,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of electric eel AChE 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
Cholinesterase (Equus caballus (Horse))	BDBM50541071 (CHEMBL4528766) Show SMILES CN(CC#C)c1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C27H32N6/c1-3-15-32(2)27-25(20-29)18-24(19-28)26(31-27)30-14-8-7-9-22-12-16-33(17-13-22)21-23-10-5-4-6-11-23/h1,4-6,10-11,18,22H,7-9,12-17,21H2,2H3,(H,30,31)	PDB UniProtKB/SwissProt 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
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50384796 (CHEMBL2037382) Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C(N)=O Show InChI InChI=1S/C12H15N5O/c1-17-10(11(14)18)8-9(13)6-4-2-3-5-7(6)15-12(8)16-17/h2-5,13H2,1H3,(H2,14,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of electric eel AChE 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
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50541068 (CHEMBL4648667) Show SMILES COc1ccc2cc(CN(C)CC#C)c(=O)oc2c1 Show InChI InChI=1S/C15H15NO3/c1-4-7-16(2)10-12-8-11-5-6-13(18-3)9-14(11)19-15(12)17/h1,5-6,8-9H,7,10H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	669	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of rat MAO A using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 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	810	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human AChE				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541056 (CHEMBL4633036) Show SMILES N[C@H](CSCC=C)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C22H30N4OS/c1-2-14-28-15-18(23)22(27)25-13-7-12-24-21-16-8-3-5-10-19(16)26-20-11-6-4-9-17(20)21/h2-3,5,8,10,18H,1,4,6-7,9,11-15,23H2,(H,24,26)(H,25,27)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50541053 (CHEMBL4642125) Show SMILES Clc1ccc2c(N(CC#C)CC#C)c3CCCCc3nc2c1 Show InChI InChI=1S/C19H17ClN2/c1-3-11-22(12-4-2)19-15-7-5-6-8-17(15)21-18-13-14(20)9-10-16(18)19/h1-2,9-10,13H,5-8,11-12H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	884	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50541050 (CHEMBL4647757) Show SMILES N[C@H](CSCC#C)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C23H30N4OS/c1-2-15-29-16-19(24)23(28)26-14-8-7-13-25-22-17-9-3-5-11-20(17)27-21-12-6-4-10-18(21)22/h1,3,5,9,11,19H,4,6-8,10,12-16,24H2,(H,25,27)(H,26,28)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50384795 (CHEMBL2037381) Show SMILES Cn1nc(C#N)c2c(N)c3CCCCc3nc12 Show InChI InChI=1S/C12H13N5/c1-17-12-10(9(6-13)16-17)11(14)7-4-2-3-5-8(7)15-12/h2-5H2,1H3,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of electric eel AChE 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
Cholinesterase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human BuChE				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50541070 (CHEMBL4647954) Show SMILES COc1cc2cc(CN(C)CC#C)c(=O)oc2cc1O Show InChI InChI=1S/C15H15NO4/c1-4-5-16(2)9-11-6-10-7-14(19-3)12(17)8-13(10)20-15(11)18/h1,6-8,17H,5,9H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50541068 (CHEMBL4648667) Show SMILES COc1ccc2cc(CN(C)CC#C)c(=O)oc2c1 Show InChI InChI=1S/C15H15NO3/c1-4-7-16(2)10-12-8-11-5-6-13(18-3)9-14(11)19-15(12)17/h1,5-6,8-9H,7,10H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50541067 (CHEMBL4638612) Show SMILES CN(CC#C)Cc1cc2ccccc2oc1=O Show InChI InChI=1S/C14H13NO2/c1-3-8-15(2)10-12-9-11-6-4-5-7-13(11)17-14(12)16/h1,4-7,9H,8,10H2,2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50541071 (CHEMBL4528766) Show SMILES CN(CC#C)c1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C27H32N6/c1-3-15-32(2)27-25(20-29)18-24(19-28)26(31-27)30-14-8-7-9-22-12-16-33(17-13-22)21-23-10-5-4-6-11-23/h1,4-6,10-11,18,22H,7-9,12-17,21H2,2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human MAO B				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50541053 (CHEMBL4642125) Show SMILES Clc1ccc2c(N(CC#C)CC#C)c3CCCCc3nc2c1 Show InChI InChI=1S/C19H17ClN2/c1-3-11-22(12-4-2)19-15-7-5-6-8-17(15)21-18-13-14(20)9-10-16(18)19/h1-2,9-10,13H,5-8,11-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126880 BindingDB Entry DOI: 10.7270/Q2639T8F
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50384796 (CHEMBL2037382) Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C(N)=O Show InChI InChI=1S/C12H15N5O/c1-17-10(11(14)18)8-9(13)6-4-2-3-5-7(6)15-12(8)16-17/h2-5,13H2,1H3,(H2,14,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	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
Cholinesterase (Equus caballus (Horse))	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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	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

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