Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50002299   

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 (Equus caballus (Horse))	BDBM50456821 (CHEMBL4208961) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4Br)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456825 (CHEMBL4210401) Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-5-3-4-6-20(17)15-25-11-9-19(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456822 (CHEMBL4205764) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456827 (CHEMBL4206041) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(F)c4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456823 (CHEMBL4217755) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456824 (CHEMBL4217466) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4)cc3)ccc12 Show InChI InChI=1S/C23H20NO3/c1-17-13-23(25)27-22-14-20(7-8-21(17)22)26-16-19-9-11-24(12-10-19)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456817 (CHEMBL4218281) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(Br)c4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456820 (CHEMBL4205110) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(c4)[N+]([O-])=O)cc3)ccc12 Show InChI InChI=1S/C23H19N2O5/c1-16-11-23(26)30-22-13-20(5-6-21(16)22)29-15-17-7-9-24(10-8-17)14-18-3-2-4-19(12-18)25(27)28/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456818 (CHEMBL4213345) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(Br)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456819 (CHEMBL4213874) Show SMILES [Br-].Cc1ccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-3-5-19(6-4-17)15-25-11-9-20(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456825 (CHEMBL4210401) Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-5-3-4-6-20(17)15-25-11-9-19(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456827 (CHEMBL4206041) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(F)c4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456823 (CHEMBL4217755) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456822 (CHEMBL4205764) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					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	32	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456825 (CHEMBL4210401) Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-5-3-4-6-20(17)15-25-11-9-19(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456821 (CHEMBL4208961) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4Br)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456823 (CHEMBL4217755) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456820 (CHEMBL4205110) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(c4)[N+]([O-])=O)cc3)ccc12 Show InChI InChI=1S/C23H19N2O5/c1-16-11-23(26)30-22-13-20(5-6-21(16)22)29-15-17-7-9-24(10-8-17)14-18-3-2-4-19(12-18)25(27)28/h2-13H,14-15H2,1H3/q+1	UniProtKB/SwissProt 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
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456827 (CHEMBL4206041) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(F)c4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	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	42	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					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	47	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456817 (CHEMBL4218281) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(Br)c4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456822 (CHEMBL4205764) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456821 (CHEMBL4208961) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4Br)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	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	78	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	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	84	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) Show SMILES Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456818 (CHEMBL4213345) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(Br)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456817 (CHEMBL4218281) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(Br)c4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	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	129	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456819 (CHEMBL4213874) Show SMILES [Br-].Cc1ccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-3-5-19(6-4-17)15-25-11-9-20(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456818 (CHEMBL4213345) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(Br)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	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	218	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456820 (CHEMBL4205110) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(c4)[N+]([O-])=O)cc3)ccc12 Show InChI InChI=1S/C23H19N2O5/c1-16-11-23(26)30-22-13-20(5-6-21(16)22)29-15-17-7-9-24(10-8-17)14-18-3-2-4-19(12-18)25(27)28/h2-13H,14-15H2,1H3/q+1	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456819 (CHEMBL4213874) Show SMILES [Br-].Cc1ccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-3-5-19(6-4-17)15-25-11-9-20(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456824 (CHEMBL4217466) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4)cc3)ccc12 Show InChI InChI=1S/C23H20NO3/c1-17-13-23(25)27-22-14-20(7-8-21(17)22)26-16-19-9-11-24(12-10-19)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3/q+1	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	352	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456824 (CHEMBL4217466) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4)cc3)ccc12 Show InChI InChI=1S/C23H20NO3/c1-17-13-23(25)27-22-14-20(7-8-21(17)22)26-16-19-9-11-24(12-10-19)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456828 (CHEMBL4216807) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(cc4)[N+]([O-])=O)cc3)ccc12 Show InChI InChI=1S/C23H19N2O5/c1-16-12-23(26)30-22-13-20(6-7-21(16)22)29-15-18-8-10-24(11-9-18)14-17-2-4-19(5-3-17)25(27)28/h2-13H,14-15H2,1H3/q+1	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	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456828 (CHEMBL4216807) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(cc4)[N+]([O-])=O)cc3)ccc12 Show InChI InChI=1S/C23H19N2O5/c1-16-12-23(26)30-22-13-20(6-7-21(16)22)29-15-18-8-10-24(11-9-18)14-17-2-4-19(5-3-17)25(27)28/h2-13H,14-15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456817 (CHEMBL4218281) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(Br)c4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456827 (CHEMBL4206041) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(F)c4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456820 (CHEMBL4205110) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(c4)[N+]([O-])=O)cc3)ccc12 Show InChI InChI=1S/C23H19N2O5/c1-16-11-23(26)30-22-13-20(5-6-21(16)22)29-15-17-7-9-24(10-8-17)14-18-3-2-4-19(12-18)25(27)28/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456825 (CHEMBL4210401) Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-5-3-4-6-20(17)15-25-11-9-19(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456818 (CHEMBL4213345) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(Br)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456819 (CHEMBL4213874) Show SMILES [Br-].Cc1ccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-3-5-19(6-4-17)15-25-11-9-20(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456821 (CHEMBL4208961) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4Br)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456822 (CHEMBL4205764) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50456823 (CHEMBL4217755) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM29136 (CHEMBL92401 | Euphozid | Iprazid | Iproniazid) Show SMILES CC(C)NNC(=O)c1ccncc1 Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair

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