Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'kling' and Initial = 'b'   

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))	BDBM50392999 (CHEMBL2152545) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C25H33N3O2/c1-3-4-5-6-9-15-26-25(29)30-21-12-13-23-20(17-21)18-28-16-14-19-10-7-8-11-22(19)24(28)27(23)2/h7-8,10-13,17,24H,3-6,9,14-16,18H2,1-2H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50392998 (CHEMBL2152544) Show SMILES CCN(C)C(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C21H25N3O2/c1-4-22(2)21(25)26-17-9-10-19-16(13-17)14-24-12-11-15-7-5-6-8-18(15)20(24)23(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50392998 (CHEMBL2152544) Show SMILES CCN(C)C(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C21H25N3O2/c1-4-22(2)21(25)26-17-9-10-19-16(13-17)14-24-12-11-15-7-5-6-8-18(15)20(24)23(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50396135 (CHEMBL2171328) Show SMILES NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50396135 (CHEMBL2171328) Show SMILES NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 81: 15-21 (2014) Article DOI: 10.1016/j.ejmech.2014.05.002 BindingDB Entry DOI: 10.7270/Q24B32VG
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50160078 (CHEMBL3787613) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1 Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured a...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160078 (CHEMBL3787613) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1 Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160250 (CHEMBL3785472) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc2c1)C(C)C)c1ccccc1 Show InChI InChI=1S/C26H37N3O2/c1-5-6-7-8-12-17-27-26(30)31-23-15-16-24-22(18-23)19-29(20(2)3)25(28(24)4)21-13-10-9-11-14-21/h9-11,13-16,18,20,25H,5-8,12,17,19H2,1-4H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160255 (CHEMBL3785189) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccsc1 Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-12-23-22(26)27-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-28-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160077 (CHEMBL3785861) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cc[nH]c1 Show InChI InChI=1S/C22H32N4O2/c1-4-5-6-7-8-12-24-22(27)28-19-9-10-20-18(14-19)16-25(2)21(26(20)3)17-11-13-23-15-17/h9-11,13-15,21,23H,4-8,12,16H2,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50497922 (CHEMBL3323382) Show SMILES CCCCCCCNC(=O)Oc1ccc2nc3N(CCCN4CCCCC4)CCCn3c(=O)c2c1 Show InChI InChI=1S/C27H41N5O3/c1-2-3-4-5-7-14-28-27(34)35-22-12-13-24-23(21-22)25(33)32-20-11-19-31(26(32)29-24)18-10-17-30-15-8-6-9-16-30/h12-13,21H,2-11,14-20H2,1H3,(H,28,34)	PDB 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
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by DTNB based assay				Bioorg Med Chem 22: 5020-34 (2014) Article DOI: 10.1016/j.bmc.2014.06.010 BindingDB Entry DOI: 10.7270/Q2V98C3D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50497922 (CHEMBL3323382) Show SMILES CCCCCCCNC(=O)Oc1ccc2nc3N(CCCN4CCCCC4)CCCn3c(=O)c2c1 Show InChI InChI=1S/C27H41N5O3/c1-2-3-4-5-7-14-28-27(34)35-22-12-13-24-23(21-22)25(33)32-20-11-19-31(26(32)29-24)18-10-17-30-15-8-6-9-16-30/h12-13,21H,2-11,14-20H2,1H3,(H,28,34)	PDB 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
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by DTNB based assay				Bioorg Med Chem 22: 5020-34 (2014) Article DOI: 10.1016/j.bmc.2014.06.010 BindingDB Entry DOI: 10.7270/Q2V98C3D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160247 (CHEMBL3786119) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc3ccccc3)Cc2c1)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-14-6-5-9-16(12-14)21-18(15-7-3-2-4-8-15)17-13-19-10-11-20-17/h2-9,12,17-19H,10-11,13H2,1H3/t17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against Nicotinic acetylcholine receptor using [3H]-(-)-nicotine radioligand				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50396135 (CHEMBL2171328) Show SMILES NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.9	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50396135 (CHEMBL2171328) Show SMILES NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by DTNB based assay				Bioorg Med Chem 22: 5020-34 (2014) Article DOI: 10.1016/j.bmc.2014.06.010 BindingDB Entry DOI: 10.7270/Q2V98C3D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160249 (CHEMBL3785181) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(CCC)Cc2c1)c1ccccc1 Show InChI InChI=1S/C17H19NOS/c1-3-7-14(8-4-1)17(16-13-18-11-12-19-16)20-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine as substrate after 2 mins				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160076 (CHEMBL3787116) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C24H32FN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45.7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393011 (CHEMBL2152543) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(Cc2c1)CCCc1ccccc31 Show InChI InChI=1S/C26H35N3O2/c1-3-4-5-6-9-16-27-26(30)31-22-14-15-24-21(18-22)19-29-17-10-12-20-11-7-8-13-23(20)25(29)28(24)2/h7-8,11,13-15,18,25H,3-6,9-10,12,16-17,19H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine as substrate after 2 mins				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393011 (CHEMBL2152543) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(Cc2c1)CCCc1ccccc31 Show InChI InChI=1S/C26H35N3O2/c1-3-4-5-6-9-16-27-26(30)31-22-14-15-24-21(18-22)19-29-17-10-12-20-11-7-8-13-23(20)25(29)28(24)2/h7-8,11,13-15,18,25H,3-6,9-10,12,16-17,19H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine as substrate after 2 mins				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50401095 (CHEMBL2204447) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r| Show InChI InChI=1S/C48H51N3O12/c1-59-37-22-27(14-16-34(37)53)47-40(61-36-17-15-28(23-38(36)62-47)48-46(58)45(57)43-35(54)24-29(52)25-39(43)63-48)26-60-42(56)19-18-41(55)49-20-8-2-3-9-21-50-44-30-10-4-6-12-32(30)51-33-13-7-5-11-31(33)44/h4,6,10,12,14-17,22-25,40,45,47-48,52-54,57H,2-3,5,7-9,11,13,18-21,26H2,1H3,(H,49,55)(H,50,51)/t40-,45?,47-,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	49.7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50401095 (CHEMBL2204447) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r| Show InChI InChI=1S/C48H51N3O12/c1-59-37-22-27(14-16-34(37)53)47-40(61-36-17-15-28(23-38(36)62-47)48-46(58)45(57)43-35(54)24-29(52)25-39(43)63-48)26-60-42(56)19-18-41(55)49-20-8-2-3-9-21-50-44-30-10-4-6-12-32(30)51-33-13-7-5-11-31(33)44/h4,6,10,12,14-17,22-25,40,45,47-48,52-54,57H,2-3,5,7-9,11,13,18-21,26H2,1H3,(H,49,55)(H,50,51)/t40-,45?,47-,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of horse AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401095 (CHEMBL2204447) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r| Show InChI InChI=1S/C48H51N3O12/c1-59-37-22-27(14-16-34(37)53)47-40(61-36-17-15-28(23-38(36)62-47)48-46(58)45(57)43-35(54)24-29(52)25-39(43)63-48)26-60-42(56)19-18-41(55)49-20-8-2-3-9-21-50-44-30-10-4-6-12-32(30)51-33-13-7-5-11-31(33)44/h4,6,10,12,14-17,22-25,40,45,47-48,52-54,57H,2-3,5,7-9,11,13,18-21,26H2,1H3,(H,49,55)(H,50,51)/t40-,45?,47-,48+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	53.7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401095 (CHEMBL2204447) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1COC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r| Show InChI InChI=1S/C48H51N3O12/c1-59-37-22-27(14-16-34(37)53)47-40(61-36-17-15-28(23-38(36)62-47)48-46(58)45(57)43-35(54)24-29(52)25-39(43)63-48)26-60-42(56)19-18-41(55)49-20-8-2-3-9-21-50-44-30-10-4-6-12-32(30)51-33-13-7-5-11-31(33)44/h4,6,10,12,14-17,22-25,40,45,47-48,52-54,57H,2-3,5,7-9,11,13,18-21,26H2,1H3,(H,49,55)(H,50,51)/t40-,45?,47-,48+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	53.9	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50392999 (CHEMBL2152545) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C25H33N3O2/c1-3-4-5-6-9-15-26-25(29)30-21-12-13-23-20(17-21)18-28-16-14-19-10-7-8-11-22(19)24(28)27(23)2/h7-8,10-13,17,24H,3-6,9,14-16,18H2,1-2H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine as substrate after 2 mins				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 81: 15-21 (2014) Article DOI: 10.1016/j.ejmech.2014.05.002 BindingDB Entry DOI: 10.7270/Q24B32VG
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50392999 (CHEMBL2152545) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C25H33N3O2/c1-3-4-5-6-9-15-26-25(29)30-21-12-13-23-20(17-21)18-28-16-14-19-10-7-8-11-22(19)24(28)27(23)2/h7-8,10-13,17,24H,3-6,9,14-16,18H2,1-2H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine as substrate after 2 mins				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50016244 (CHEMBL3262489) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4c3[nH]c3ccccc43)Cc2c1 Show InChI InChI=1S/C27H34N4O2/c1-3-4-5-6-9-15-28-27(32)33-20-12-13-24-19(17-20)18-31-16-14-22-21-10-7-8-11-23(21)29-25(22)26(31)30(24)2/h7-8,10-13,17,26,29H,3-6,9,14-16,18H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 81: 15-21 (2014) Article DOI: 10.1016/j.ejmech.2014.05.002 BindingDB Entry DOI: 10.7270/Q24B32VG
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50497918 (CHEMBL3323390) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4=NCCCN4C(=O)c3c2)cc1 |t:17| Show InChI InChI=1S/C22H24N4O3/c1-14(2)15-5-7-16(8-6-15)24-22(28)29-17-9-10-19-18(13-17)20(27)26-12-4-11-23-21(26)25(19)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by DTNB based assay				Bioorg Med Chem 22: 5020-34 (2014) Article DOI: 10.1016/j.bmc.2014.06.010 BindingDB Entry DOI: 10.7270/Q2V98C3D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160254 (CHEMBL3786737) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccoc1 Show InChI InChI=1S/C22H31N3O3/c1-4-5-6-7-8-12-23-22(26)28-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-27-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50497918 (CHEMBL3323390) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4=NCCCN4C(=O)c3c2)cc1 |t:17| Show InChI InChI=1S/C22H24N4O3/c1-14(2)15-5-7-16(8-6-15)24-22(28)29-17-9-10-19-18(13-17)20(27)26-12-4-11-23-21(26)25(19)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by DTNB based assay				Bioorg Med Chem 22: 5020-34 (2014) Article DOI: 10.1016/j.bmc.2014.06.010 BindingDB Entry DOI: 10.7270/Q2V98C3D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Electric eel AChE using acetylthiocholine as substrate after 2 mins				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by DTNB based assay				Bioorg Med Chem 22: 5020-34 (2014) Article DOI: 10.1016/j.bmc.2014.06.010 BindingDB Entry DOI: 10.7270/Q2V98C3D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160266 (CHEMBL3787106) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H32ClN3O2/c1-4-5-6-7-8-14-26-24(29)30-21-12-13-22-19(16-21)17-27(2)23(28(22)3)18-10-9-11-20(25)15-18/h9-13,15-16,23H,4-8,14,17H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401096 (CHEMBL2204448) Show SMILES OC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H31N3O3/c27-21(13-14-22(28)29)24-15-7-1-2-8-16-25-23-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)23/h3,5,9,11H,1-2,4,6-8,10,12-16H2,(H,24,27)(H,25,26)(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401096 (CHEMBL2204448) Show SMILES OC(=O)CCC(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H31N3O3/c27-21(13-14-22(28)29)24-15-7-1-2-8-16-25-23-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)23/h3,5,9,11H,1-2,4,6-8,10,12-16H2,(H,24,27)(H,25,26)(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Regensburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman assay				J Med Chem 55: 5231-42 (2012) Article DOI: 10.1021/jm300246n BindingDB Entry DOI: 10.7270/Q2X06868
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160268 (CHEMBL3786381) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1 Show InChI InChI=1S/C24H33N3O2/c1-4-5-6-7-11-16-25-24(28)29-21-14-15-22-20(17-21)18-26(2)23(27(22)3)19-12-9-8-10-13-19/h8-10,12-15,17,23H,4-7,11,16,18H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50160267 (CHEMBL3785533) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H32ClN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393014 (CHEMBL2152548) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(CCc5ccccc45)Cc3c2)cc1 Show InChI InChI=1S/C27H29N3O2/c1-18(2)19-8-10-22(11-9-19)28-27(31)32-23-12-13-25-21(16-23)17-30-15-14-20-6-4-5-7-24(20)26(30)29(25)3/h4-13,16,18,26H,14-15,17H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine as substrate after 2 mins				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393014 (CHEMBL2152548) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(CCc5ccccc45)Cc3c2)cc1 Show InChI InChI=1S/C27H29N3O2/c1-18(2)19-8-10-22(11-9-19)28-27(31)32-23-12-13-25-21(16-23)17-30-15-14-20-6-4-5-7-24(20)26(30)29(25)3/h4-13,16,18,26H,14-15,17H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine as substrate after 2 mins				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
					More data for this Ligand-Target Pair

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