Compile Data Set for Download or QSAR

Found 350 hits with Last Name = '?akelj' and Initial = 's'   

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
Cholinesterase (Homo sapiens (Human))	BDBM50247011 (CHEMBL4080419) Show SMILES Cl.CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N3O.ClH/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29;/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate at pH 8 by stopped flow assay				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50247011 (CHEMBL4080419) Show SMILES Cl.CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N3O.ClH/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29;/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate at pH 8 by stopped flow assay				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate at pH 8 by stopped flow assay				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468733 (CHEMBL4294570) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2cccc(O)c2n1 Show InChI InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-13-12-22-10-5-11-27(34)28(22)30-26)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468736 (CHEMBL4283585) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2cccnc2c1O Show InChI InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-12-11-22-10-5-13-30-27(22)28(26)34)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					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	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50506401 (CHEMBL4450588) Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1 Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50506401 (CHEMBL4450588) Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1 Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506400 (CHEMBL4458212) Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506402 (CHEMBL4558431) Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506394 (CHEMBL4576799) Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506394 (CHEMBL4576799) Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506402 (CHEMBL4558431) Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506400 (CHEMBL4458212) Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50247022 (CHEMBL4089230) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50431886 (CHEMBL1413473) Show SMILES CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccc1 |t:4| Show InChI InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine as substrate preincubated for 300 secs followed by substrate addition and measured for ...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50246979 (CHEMBL4105611 | US20230331674, Table 1.1) Show SMILES COCCN(CC1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of AChE in mouse brain homogenate using acetylthiocholine as substrate preincubated for 300 secs followed by substrate addition by Ellman'...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506402 (CHEMBL4558431) Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468744 (CHEMBL4280947) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C29H35N3O3/c1-30(2)14-15-32(28(33)26-18-24-11-5-6-12-27(24)35-29(26)34)20-21-8-7-13-31(19-21)25-16-22-9-3-4-10-23(22)17-25/h3-6,9-12,18,21,25H,7-8,13-17,19-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506417 (CHEMBL4465204) Show SMILES FC(F)(F)c1ccc(CCC2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C17H20F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,5-8,15H,3-4,9-13H2	PDB UniProtKB/SwissProt antibodypedia 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
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468733 (CHEMBL4294570) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2cccc(O)c2n1 Show InChI InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-13-12-22-10-5-11-27(34)28(22)30-26)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468736 (CHEMBL4283585) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2cccnc2c1O Show InChI InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-12-11-22-10-5-13-30-27(22)28(26)34)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50247010 (CHEMBL4068039) Show SMILES Cl.Cl.CNCCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H35N3O.2ClH/c1-30-14-16-32(29(33)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-15-31(20-22)28-18-25-10-4-5-11-26(25)19-28;;/h2-5,8-13,17,22,28,30H,6-7,14-16,18-21H2,1H3;2*1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468741 (CHEMBL4291165) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1cc(O)c2cccc(O)c2n1 Show InChI InChI=1S/C29H36N4O3/c1-31(2)13-14-33(29(36)25-17-27(35)24-10-5-11-26(34)28(24)30-25)19-20-7-6-12-32(18-20)23-15-21-8-3-4-9-22(21)16-23/h3-5,8-11,17,20,23,34H,6-7,12-16,18-19H2,1-2H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506400 (CHEMBL4458212) Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506396 (CHEMBL4544548) Show SMILES Brc1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C16H18BrN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50027376 (CHEMBL3338391) Show SMILES COCCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H34N2O2/c1-33-16-15-31(29(32)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-14-30(20-22)28-18-25-10-4-5-11-26(25)19-28/h2-5,8-13,17,22,28H,6-7,14-16,18-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin)				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50468739 (CHEMBL4288890) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C29H35N5O4/c1-31(2)13-14-33(29(36)25-17-26(34(37)38)24-10-5-11-30-27(24)28(25)35)19-20-7-6-12-32(18-20)23-15-21-8-3-4-9-22(21)16-23/h3-5,8-11,17,20,23,35H,6-7,12-16,18-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin)				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506421 (CHEMBL4440827) Show SMILES CS(=O)(=O)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C17H21NO2S/c1-3-12-18-13-10-16(11-14-18)5-4-15-6-8-17(9-7-15)21(2,19)20/h1,4-9,16H,10-14H2,2H3/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506423 (CHEMBL4535439) Show SMILES CCCc1ccc(CCC2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C19H27N/c1-3-5-17-6-8-18(9-7-17)10-11-19-12-15-20(14-4-2)16-13-19/h2,6-9,19H,3,5,10-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM10989 ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM10989 ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cells assessed as inhibition of H2O2 production using...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112282 BindingDB Entry DOI: 10.7270/Q29P35CF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506414 (CHEMBL4589551) Show SMILES Clc1ccc(CCC2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C16H20ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,5-8,15H,3-4,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50246974 (CHEMBL4097939) Show SMILES COCCCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H36N2O2/c1-34-17-7-16-32(30(33)28-14-13-24-9-2-3-10-25(24)18-28)22-23-8-6-15-31(21-23)29-19-26-11-4-5-12-27(26)20-29/h2-5,9-14,18,23,29H,6-8,15-17,19-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506429 (CHEMBL4572478) Show SMILES CC(C)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C19H25N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,5-10,16,18H,11-15H2,2-3H3/b6-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506422 (CHEMBL4449776) Show SMILES C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C1CC1 Show InChI InChI=1S/C19H23N/c1-2-13-20-14-11-17(12-15-20)4-3-16-5-7-18(8-6-16)19-9-10-19/h1,3-8,17,19H,9-15H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468731 (CHEMBL4287944) Show SMILES CN(C)CCN(CC1CCCN(Cc2ccc3cccc(O)c3n2)C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C31H36N4O2/c1-33(2)17-18-35(31(37)27-13-12-24-8-3-4-9-26(24)19-27)21-23-7-6-16-34(20-23)22-28-15-14-25-10-5-11-29(36)30(25)32-28/h3-5,8-15,19,23,36H,6-7,16-18,20-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506413 (CHEMBL4444081) Show SMILES Clc1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C16H18ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506398 (CHEMBL4581765) Show SMILES C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C#N Show InChI InChI=1S/C17H18N2/c1-2-11-19-12-9-16(10-13-19)4-3-15-5-7-17(14-18)8-6-15/h1,3-8,16H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506419 (CHEMBL4540242) Show SMILES C#CCN1CCC(CCc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C17H20N2/c1-2-11-19-12-9-16(10-13-19)4-3-15-5-7-17(14-18)8-6-15/h1,5-8,16H,3-4,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564558 (CHEMBL4782422) Show SMILES O=C(Nc1ccccc1)OC1CCCN(C1)C1Cc2ccccc2C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuchE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112282 BindingDB Entry DOI: 10.7270/Q29P35CF
					More data for this Ligand-Target Pair

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