Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'inokuchi' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins follow...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins fo...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					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
Cholinesterase (Homo sapiens (Human))	BDBM50197879 (CHEMBL3972214) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-25-12-11-24-9-6-10-27(33)28(24)30-25)26(19-29)18-22-13-16-31(17-14-22)20-23-7-4-3-5-8-23/h1,3-12,22,26,33H,13-18,20-21H2	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					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] 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 (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	9	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	16	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	20	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				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
Cholinesterase (Homo sapiens (Human))	BDBM50197878 (CHEMBL3961103) Show SMILES Oc1cccc2ccc(CN(CCCC3CCN(Cc4ccccc4)CC3)CC#C)nc12 Show InChI InChI=1S/C28H33N3O/c1-2-17-30(22-26-14-13-25-11-6-12-27(32)28(25)29-26)18-7-10-23-15-19-31(20-16-23)21-24-8-4-3-5-9-24/h1,3-6,8-9,11-14,23,32H,7,10,15-22H2	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50197876 (CHEMBL3901082) Show SMILES Oc1cccc2ccc(CN(CC#C)C(C#N)C3CCN(Cc4ccccc4)CC3)nc12 Show InChI InChI=1S/C27H28N4O/c1-2-15-31(20-24-12-11-23-9-6-10-26(32)27(23)29-24)25(18-28)22-13-16-30(17-14-22)19-21-7-4-3-5-8-21/h1,3-12,22,25,32H,13-17,19-20H2	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				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				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				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
Cholinesterase (Homo sapiens (Human))	BDBM50197880 (CHEMBL3931599) Show SMILES Oc1cccc2ccc(CN(CC#C)CC3CCN(Cc4ccccc4)CC3)nc12 Show InChI InChI=1S/C26H29N3O/c1-2-15-29(20-24-12-11-23-9-6-10-25(30)26(23)27-24)19-22-13-16-28(17-14-22)18-21-7-4-3-5-8-21/h1,3-12,22,30H,13-20H2	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50197877 (CHEMBL3892118) Show SMILES Oc1cccc2ccc(CN(CCC3CCN(Cc4ccccc4)CC3)CC#C)nc12 Show InChI InChI=1S/C27H31N3O/c1-2-16-29(21-25-12-11-24-9-6-10-26(31)27(24)28-25)17-13-22-14-18-30(19-15-22)20-23-7-4-3-5-8-23/h1,3-12,22,31H,13-21H2	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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	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	350	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	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	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate preincubated for 240 mins				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 (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 240 mins followed by substrate addition measured for 1 hr by hors...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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 preincubated for 240 mins				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] B (Rattus norvegicus (rat))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	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 (Homo sapiens (Human))	BDBM50197878 (CHEMBL3961103) Show SMILES Oc1cccc2ccc(CN(CCCC3CCN(Cc4ccccc4)CC3)CC#C)nc12 Show InChI InChI=1S/C28H33N3O/c1-2-17-30(22-26-14-13-25-11-6-12-27(32)28(25)29-26)18-7-10-23-15-19-31(20-16-23)21-24-8-4-3-5-9-24/h1,3-6,8-9,11-14,23,32H,7,10,15-22H2	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 180 mins followed by substrate addition measured for 1 hr by hors...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				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))	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	n/a	n/a	1.80E+3	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 (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 120 mins followed by substrate addition measured for 1 hr by hors...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	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	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	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	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate preincubated for 60 mins				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))	BDBM50018672 (CHEMBL3291020) Show SMILES Oc1ccc(CN(CCCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12 Show InChI InChI=1S/C28H33N3O/c1-2-17-30(22-25-12-13-27(32)28-26(25)11-6-16-29-28)18-7-10-23-14-19-31(20-15-23)21-24-8-4-3-5-9-24/h1,3-6,8-9,11-13,16,23,32H,7,10,14-15,17-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	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] B (Rattus norvegicus (rat))	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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	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 preincubated for 60 mins				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 (Homo sapiens (Human))	BDBM50197879 (CHEMBL3972214) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-25-12-11-24-9-6-10-27(33)28(24)30-25)26(19-29)18-22-13-16-31(17-14-22)20-23-7-4-3-5-8-23/h1,3-12,22,26,33H,13-18,20-21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	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	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate preincubated for 30 mins				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 (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 60 mins followed by substrate addition measured for 1 hr by horse...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50197877 (CHEMBL3892118) Show SMILES Oc1cccc2ccc(CN(CCC3CCN(Cc4ccccc4)CC3)CC#C)nc12 Show InChI InChI=1S/C27H31N3O/c1-2-16-29(21-25-12-11-24-9-6-10-26(31)27(24)28-25)17-13-22-14-18-30(19-15-22)20-23-7-4-3-5-8-23/h1,3-12,22,31H,13-21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50018672 (CHEMBL3291020) Show SMILES Oc1ccc(CN(CCCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12 Show InChI InChI=1S/C28H33N3O/c1-2-17-30(22-25-12-13-27(32)28-26(25)11-6-16-29-28)18-7-10-23-14-19-31(20-15-23)21-24-8-4-3-5-9-24/h1,3-6,8-9,11-13,16,23,32H,7,10,14-15,17-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				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))	BDBM50018673 (CHEMBL3291018) Show SMILES Oc1ccc(CN(CCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12 Show InChI InChI=1S/C27H31N3O/c1-2-16-29(21-24-10-11-26(31)27-25(24)9-6-15-28-27)17-12-22-13-18-30(19-14-22)20-23-7-4-3-5-8-23/h1,3-11,15,22,31H,12-14,16-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018674 (CHEMBL3291017) Show SMILES Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-24-10-11-27(33)28-26(24)9-6-14-30-28)25(19-29)18-22-12-16-31(17-13-22)20-23-7-4-3-5-8-23/h1,3-11,14,22,25,33H,12-13,15-18,20-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	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
Cholinesterase (Equus caballus (Horse))	BDBM50018674 (CHEMBL3291017) Show SMILES Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-24-10-11-27(33)28-26(24)9-6-14-30-28)25(19-29)18-22-12-16-31(17-13-22)20-23-7-4-3-5-8-23/h1,3-11,14,22,25,33H,12-13,15-18,20-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				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))	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	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				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 (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterase (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				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
Cholinesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	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
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	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 preincubated for 30 mins				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))	BDBM50018674 (CHEMBL3291017) Show SMILES Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-24-10-11-27(33)28-26(24)9-6-14-30-28)25(19-29)18-22-12-16-31(17-13-22)20-23-7-4-3-5-8-23/h1,3-11,14,22,25,33H,12-13,15-18,20-21H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				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

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