Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'beloglazkin' and Initial = 'aa'   

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))	BDBM50463665 (CHEMBL4240365) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C23H20BrNO4/c1-3-20-19(23(27)18-13-17(24)9-10-21(18)29-20)15-25(12-11-22(26)28-2)14-16-7-5-4-6-8-16/h3-13H,1,14-15H2,2H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Linewe...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463663 (CHEMBL4244573) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO4/c1-3-20-19(23(26)18-11-7-8-12-21(18)28-20)16-24(14-13-22(25)27-2)15-17-9-5-4-6-10-17/h3-14H,1,15-16H2,2H3/b14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Linewe...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463658 (CHEMBL4246032) Show SMILES CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO3/c1-3-21-20(23(26)19-11-7-8-12-22(19)27-21)16-24(14-13-17(2)25)15-18-9-5-4-6-10-18/h3-14H,1,15-16H2,2H3/b14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Linewe...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (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 NCI pathway 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	600	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Liver carboxylesterase (Sus scrofa)	BDBM50130915 (CHEBI:3122 | CHEMBL1231178) Show SMILES OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463665 (CHEMBL4240365) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C23H20BrNO4/c1-3-20-19(23(27)18-13-17(24)9-10-21(18)29-20)15-25(12-11-22(26)28-2)14-16-7-5-4-6-8-16/h3-13H,1,14-15H2,2H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463658 (CHEMBL4246032) Show SMILES CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO3/c1-3-21-20(23(26)19-11-7-8-12-22(19)27-21)16-24(14-13-17(2)25)15-18-9-5-4-6-10-18/h3-14H,1,15-16H2,2H3/b14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463663 (CHEMBL4244573) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO4/c1-3-20-19(23(26)18-11-7-8-12-21(18)28-20)16-24(14-13-22(25)27-2)15-17-9-5-4-6-10-17/h3-14H,1,15-16H2,2H3/b14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463656 (CHEMBL4250287) Show SMILES CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C23H20BrNO3/c1-3-21-20(23(27)19-13-18(24)9-10-22(19)28-21)15-25(12-11-16(2)26)14-17-7-5-4-6-8-17/h3-13H,1,14-15H2,2H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463664 (CHEMBL4250143) Show SMILES COC(=O)\C=C(\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O)C(=O)OC Show InChI InChI=1S/C25H23NO6/c1-4-21-19(24(28)18-12-8-9-13-22(18)32-21)16-26(15-17-10-6-5-7-11-17)20(25(29)31-3)14-23(27)30-2/h4-14H,1,15-16H2,2-3H3/b20-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463661 (CHEMBL4238512) Show SMILES COC(=O)\C=C(\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O)C(=O)OC Show InChI InChI=1S/C25H22BrNO6/c1-4-21-19(24(29)18-12-17(26)10-11-22(18)33-21)15-27(14-16-8-6-5-7-9-16)20(25(30)32-3)13-23(28)31-2/h4-13H,1,14-15H2,2-3H3/b20-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463664 (CHEMBL4250143) Show SMILES COC(=O)\C=C(\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O)C(=O)OC Show InChI InChI=1S/C25H23NO6/c1-4-21-19(24(28)18-12-8-9-13-22(18)32-21)16-26(15-17-10-6-5-7-11-17)20(25(29)31-3)14-23(27)30-2/h4-14H,1,15-16H2,2-3H3/b20-14+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463661 (CHEMBL4238512) Show SMILES COC(=O)\C=C(\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O)C(=O)OC Show InChI InChI=1S/C25H22BrNO6/c1-4-21-19(24(29)18-12-17(26)10-11-22(18)33-21)15-27(14-16-8-6-5-7-9-16)20(25(30)32-3)13-23(28)31-2/h4-13H,1,14-15H2,2-3H3/b20-13+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463658 (CHEMBL4246032) Show SMILES CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO3/c1-3-21-20(23(26)19-11-7-8-12-22(19)27-21)16-24(14-13-17(2)25)15-18-9-5-4-6-10-18/h3-14H,1,15-16H2,2H3/b14-13+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463663 (CHEMBL4244573) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO4/c1-3-20-19(23(26)18-11-7-8-12-21(18)28-20)16-24(14-13-22(25)27-2)15-17-9-5-4-6-10-17/h3-14H,1,15-16H2,2H3/b14-13+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463656 (CHEMBL4250287) Show SMILES CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C23H20BrNO3/c1-3-21-20(23(27)19-13-18(24)9-10-22(19)28-21)15-25(12-11-16(2)26)14-17-7-5-4-6-8-17/h3-13H,1,14-15H2,2H3/b12-11+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463666 (CHEMBL4238937) Show SMILES COC(=O)\C=C(\N1CCc2oc3ccc(Br)cc3c(=O)c2C1)C(=O)OC Show InChI InChI=1S/C18H16BrNO6/c1-24-16(21)8-13(18(23)25-2)20-6-5-15-12(9-20)17(22)11-7-10(19)3-4-14(11)26-15/h3-4,7-8H,5-6,9H2,1-2H3/b13-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463667 (CHEMBL4248378) Show SMILES CN1CCc2oc3ccc(Br)cc3c(=O)c2C1 Show InChI InChI=1S/C13H12BrNO2/c1-15-5-4-12-10(7-15)13(16)9-6-8(14)2-3-11(9)17-12/h2-3,6H,4-5,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463668 (CHEMBL4242675) Show SMILES CCOc1cccc2c1oc(C=C)c(CN(Cc1ccccc1)C(=C\C(=O)OC)\C(=O)OC)c2=O Show InChI InChI=1S/C27H27NO7/c1-5-22-20(25(30)19-13-10-14-23(34-6-2)26(19)35-22)17-28(16-18-11-8-7-9-12-18)21(27(31)33-4)15-24(29)32-3/h5,7-15H,1,6,16-17H2,2-4H3/b21-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463669 (CHEMBL4250510) Show SMILES CCOc1cccc2c1oc1CCN(C)Cc1c2=O Show InChI InChI=1S/C15H17NO3/c1-3-18-13-6-4-5-10-14(17)11-9-16(2)8-7-12(11)19-15(10)13/h4-6H,3,7-9H2,1-2H3	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463660 (CHEMBL4250314) Show SMILES CCOc1cccc2c1oc1CCN(Cc1c2=O)C(=C\C(=O)OC)\C(=O)OC Show InChI InChI=1S/C20H21NO7/c1-4-27-16-7-5-6-12-18(23)13-11-21(9-8-15(13)28-19(12)16)14(20(24)26-3)10-17(22)25-2/h5-7,10H,4,8-9,11H2,1-3H3/b14-10+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463659 (CHEMBL4247106) Show SMILES CN1CCc2oc3ccccc3c(=O)c2C1 Show InChI InChI=1S/C13H13NO2/c1-14-7-6-12-10(8-14)13(15)9-4-2-3-5-11(9)16-12/h2-5H,6-8H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463666 (CHEMBL4238937) Show SMILES COC(=O)\C=C(\N1CCc2oc3ccc(Br)cc3c(=O)c2C1)C(=O)OC Show InChI InChI=1S/C18H16BrNO6/c1-24-16(21)8-13(18(23)25-2)20-6-5-15-12(9-20)17(22)11-7-10(19)3-4-14(11)26-15/h3-4,7-8H,5-6,9H2,1-2H3/b13-8+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463670 (CHEMBL4248994) Show SMILES COC(=O)\C=C(\N1CCc2oc3ccccc3c(=O)c2C1)C(=O)OC Show InChI InChI=1S/C18H17NO6/c1-23-16(20)9-13(18(22)24-2)19-8-7-15-12(10-19)17(21)11-5-3-4-6-14(11)25-15/h3-6,9H,7-8,10H2,1-2H3/b13-9+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463668 (CHEMBL4242675) Show SMILES CCOc1cccc2c1oc(C=C)c(CN(Cc1ccccc1)C(=C\C(=O)OC)\C(=O)OC)c2=O Show InChI InChI=1S/C27H27NO7/c1-5-22-20(25(30)19-13-10-14-23(34-6-2)26(19)35-22)17-28(16-18-11-8-7-9-12-18)21(27(31)33-4)15-24(29)32-3/h5,7-15H,1,6,16-17H2,2-4H3/b21-15+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463664 (CHEMBL4250143) Show SMILES COC(=O)\C=C(\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O)C(=O)OC Show InChI InChI=1S/C25H23NO6/c1-4-21-19(24(28)18-12-8-9-13-22(18)32-21)16-26(15-17-10-6-5-7-11-17)20(25(29)31-3)14-23(27)30-2/h4-14H,1,15-16H2,2-3H3/b20-14+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463671 (CHEMBL4239718) Show SMILES CCOc1cccc2c1oc(C=C)c(CN(C)\C=C\C(=O)OC)c2=O Show InChI InChI=1S/C19H21NO5/c1-5-15-14(12-20(3)11-10-17(21)23-4)18(22)13-8-7-9-16(24-6-2)19(13)25-15/h5,7-11H,1,6,12H2,2-4H3/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463672 (CHEMBL4249829) Show SMILES COC(=O)\C=C\N(C)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C17H16BrNO4/c1-4-14-13(10-19(2)8-7-16(20)22-3)17(21)12-9-11(18)5-6-15(12)23-14/h4-9H,1,10H2,2-3H3/b8-7+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463673 (CHEMBL4241628) Show SMILES CCOc1cccc2c1oc(C=C)c(CN(Cc1ccccc1)\C=C\C(=O)OC)c2=O Show InChI InChI=1S/C25H25NO5/c1-4-21-20(24(28)19-12-9-13-22(30-5-2)25(19)31-21)17-26(15-14-23(27)29-3)16-18-10-7-6-8-11-18/h4,6-15H,1,5,16-17H2,2-3H3/b15-14+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463665 (CHEMBL4240365) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C23H20BrNO4/c1-3-20-19(23(27)18-13-17(24)9-10-21(18)29-20)15-25(12-11-22(26)28-2)14-16-7-5-4-6-8-16/h3-13H,1,14-15H2,2H3/b12-11+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463669 (CHEMBL4250510) Show SMILES CCOc1cccc2c1oc1CCN(C)Cc1c2=O Show InChI InChI=1S/C15H17NO3/c1-3-18-13-6-4-5-10-14(17)11-9-16(2)8-7-12(11)19-15(10)13/h4-6H,3,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463674 (CHEMBL4250950) Show SMILES Brc1ccc2oc3CCN(Cc4ccccc4)Cc3c(=O)c2c1 Show InChI InChI=1S/C19H16BrNO2/c20-14-6-7-17-15(10-14)19(22)16-12-21(9-8-18(16)23-17)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463660 (CHEMBL4250314) Show SMILES CCOc1cccc2c1oc1CCN(Cc1c2=O)C(=C\C(=O)OC)\C(=O)OC Show InChI InChI=1S/C20H21NO7/c1-4-27-16-7-5-6-12-18(23)13-11-21(9-8-15(13)28-19(12)16)14(20(24)26-3)10-17(22)25-2/h5-7,10H,4,8-9,11H2,1-3H3/b14-10+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463661 (CHEMBL4238512) Show SMILES COC(=O)\C=C(\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O)C(=O)OC Show InChI InChI=1S/C25H22BrNO6/c1-4-21-19(24(29)18-12-17(26)10-11-22(18)33-21)15-27(14-16-8-6-5-7-9-16)20(25(30)32-3)13-23(28)31-2/h4-13H,1,14-15H2,2-3H3/b20-13+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463672 (CHEMBL4249829) Show SMILES COC(=O)\C=C\N(C)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C17H16BrNO4/c1-4-14-13(10-19(2)8-7-16(20)22-3)17(21)12-9-11(18)5-6-15(12)23-14/h4-9H,1,10H2,2-3H3/b8-7+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463665 (CHEMBL4240365) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C23H20BrNO4/c1-3-20-19(23(27)18-13-17(24)9-10-21(18)29-20)15-25(12-11-22(26)28-2)14-16-7-5-4-6-8-16/h3-13H,1,14-15H2,2H3/b12-11+	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463667 (CHEMBL4248378) Show SMILES CN1CCc2oc3ccc(Br)cc3c(=O)c2C1 Show InChI InChI=1S/C13H12BrNO2/c1-15-5-4-12-10(7-15)13(16)9-6-8(14)2-3-11(9)17-12/h2-3,6H,4-5,7H2,1H3	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463675 (CHEMBL4241100) Show SMILES CCOc1cccc2c1oc1CCN(Cc3ccccc3)Cc1c2=O Show InChI InChI=1S/C21H21NO3/c1-2-24-19-10-6-9-16-20(23)17-14-22(12-11-18(17)25-21(16)19)13-15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50463674 (CHEMBL4250950) Show SMILES Brc1ccc2oc3CCN(Cc4ccccc4)Cc3c(=O)c2c1 Show InChI InChI=1S/C19H16BrNO2/c20-14-6-7-17-15(10-14)19(22)16-12-21(9-8-18(16)23-17)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463658 (CHEMBL4246032) Show SMILES CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO3/c1-3-21-20(23(26)19-11-7-8-12-22(19)27-21)16-24(14-13-17(2)25)15-18-9-5-4-6-10-18/h3-14H,1,15-16H2,2H3/b14-13+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463660 (CHEMBL4250314) Show SMILES CCOc1cccc2c1oc1CCN(Cc1c2=O)C(=C\C(=O)OC)\C(=O)OC Show InChI InChI=1S/C20H21NO7/c1-4-27-16-7-5-6-12-18(23)13-11-21(9-8-15(13)28-19(12)16)14(20(24)26-3)10-17(22)25-2/h5-7,10H,4,8-9,11H2,1-3H3/b14-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463670 (CHEMBL4248994) Show SMILES COC(=O)\C=C(\N1CCc2oc3ccccc3c(=O)c2C1)C(=O)OC Show InChI InChI=1S/C18H17NO6/c1-23-16(20)9-13(18(22)24-2)19-8-7-15-12(10-19)17(21)11-5-3-4-6-14(11)25-15/h3-6,9H,7-8,10H2,1-2H3/b13-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463663 (CHEMBL4244573) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO4/c1-3-20-19(23(26)18-11-7-8-12-21(18)28-20)16-24(14-13-22(25)27-2)15-17-9-5-4-6-10-17/h3-14H,1,15-16H2,2H3/b14-13+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50463662 (CHEMBL4237467) Show SMILES COC(=O)\C=C\N(C)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C17H17NO4/c1-4-14-13(11-18(2)10-9-16(19)21-3)17(20)12-7-5-6-8-15(12)22-14/h4-10H,1,11H2,2-3H3/b10-9+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectro...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463672 (CHEMBL4249829) Show SMILES COC(=O)\C=C\N(C)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C17H16BrNO4/c1-4-14-13(10-19(2)8-7-16(20)22-3)17(21)12-9-11(18)5-6-15(12)23-14/h4-9H,1,10H2,2-3H3/b8-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463673 (CHEMBL4241628) Show SMILES CCOc1cccc2c1oc(C=C)c(CN(Cc1ccccc1)\C=C\C(=O)OC)c2=O Show InChI InChI=1S/C25H25NO5/c1-4-21-20(24(28)19-12-9-13-22(30-5-2)25(19)31-21)17-26(15-14-23(27)29-3)16-18-10-7-6-8-11-18/h4,6-15H,1,5,16-17H2,2-3H3/b15-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463657 (CHEMBL4244773) Show SMILES O=c1c2CN(Cc3ccccc3)CCc2oc2ccccc12 Show InChI InChI=1S/C19H17NO2/c21-19-15-8-4-5-9-17(15)22-18-10-11-20(13-16(18)19)12-14-6-2-1-3-7-14/h1-9H,10-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463675 (CHEMBL4241100) Show SMILES CCOc1cccc2c1oc1CCN(Cc3ccccc3)Cc1c2=O Show InChI InChI=1S/C21H21NO3/c1-2-24-19-10-6-9-16-20(23)17-14-22(12-11-18(17)25-21(16)19)13-15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463674 (CHEMBL4250950) Show SMILES Brc1ccc2oc3CCN(Cc4ccccc4)Cc3c(=O)c2c1 Show InChI InChI=1S/C19H16BrNO2/c20-14-6-7-17-15(10-14)19(22)16-12-21(9-8-18(16)23-17)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair

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