Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'pudlo' and Initial = 'm'   

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
Arginase-1 (Bos taurus)	BDBM50553165 (CHEMBL4754674) Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1039/d0md00011f BindingDB Entry DOI: 10.7270/Q261140V
					More data for this Ligand-Target Pair
Arginase-1 (Bos taurus)	BDBM50553165 (CHEMBL4754674) Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Cornish-Bowden plot analysis				Citation and Details Article DOI: 10.1039/d0md00011f BindingDB Entry DOI: 10.7270/Q261140V
					More data for this Ligand-Target Pair
Arginase-1 (Bos taurus)	BDBM50553165 (CHEMBL4754674) Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Dixon plot analysis				Citation and Details Article DOI: 10.1039/d0md00011f BindingDB Entry DOI: 10.7270/Q261140V
					More data for this Ligand-Target Pair
Arginase-1 (Bos taurus)	BDBM50045936 ((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...) Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1 Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1039/d0md00011f BindingDB Entry DOI: 10.7270/Q261140V
					More data for this Ligand-Target Pair
Arginase-1 (Bos taurus)	BDBM50045936 ((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...) Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1 Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Cornish-Bowden plot analysis				Citation and Details Article DOI: 10.1039/d0md00011f BindingDB Entry DOI: 10.7270/Q261140V
					More data for this Ligand-Target Pair
Arginase-1 (Bos taurus)	BDBM50045936 ((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...) Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1 Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Dixon plot analysis				Citation and Details Article DOI: 10.1039/d0md00011f BindingDB Entry DOI: 10.7270/Q261140V
					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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Université de Franche-Comté Curated by ChEMBL					Assay Description Inhibition of horse serum BChE after 15 mins by Ellman's method				Eur J Med Chem 46: 1-10 (2010) Article DOI: 10.1016/j.ejmech.2010.08.054 BindingDB Entry DOI: 10.7270/Q2NZ87X6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	27	n/a	n/a	n/a	n/a	n/a	n/a
Université de Franche-Comté Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 15 mins by Ellman's method				Eur J Med Chem 46: 1-10 (2010) Article DOI: 10.1016/j.ejmech.2010.08.054 BindingDB Entry DOI: 10.7270/Q2NZ87X6
					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	33	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					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	65	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002842 (CHEMBL3233934) Show SMILES COc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1OC Show InChI InChI=1S/C25H29N3O5/c1-32-20-12-18-19(13-21(20)33-2)27-25(31)22(23(18)29)24(30)26-14-16-8-10-28(11-9-16)15-17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,26,30)(H2,27,29,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50002842 (CHEMBL3233934) Show SMILES COc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1OC Show InChI InChI=1S/C25H29N3O5/c1-32-20-12-18-19(13-21(20)33-2)27-25(31)22(23(18)29)24(30)26-14-16-8-10-28(11-9-16)15-17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,26,30)(H2,27,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challeng...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002846 (CHEMBL3233938) Show SMILES COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1OC Show InChI InChI=1S/C32H35N3O5/c1-39-27-17-25-26(18-28(27)40-2)35(21-24-11-7-4-8-12-24)32(38)29(30(25)36)31(37)33-19-22-13-15-34(16-14-22)20-23-9-5-3-6-10-23/h3-12,17-18,22,36H,13-16,19-21H2,1-2H3,(H,33,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002848 (CHEMBL3233940) Show SMILES COc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(OC)c1O Show InChI InChI=1S/C32H35N3O6/c1-40-26-16-23(17-27(41-2)30(26)37)20-35-25-11-7-6-10-24(25)29(36)28(32(35)39)31(38)33-18-21-12-14-34(15-13-21)19-22-8-4-3-5-9-22/h3-11,16-17,21,36-37H,12-15,18-20H2,1-2H3,(H,33,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002853 (CHEMBL3233927) Show SMILES Cn1c2ccccc2c(O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O Show InChI InChI=1S/C24H27N3O3/c1-26-20-10-6-5-9-19(20)22(28)21(24(26)30)23(29)25-15-17-11-13-27(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,28H,11-16H2,1H3,(H,25,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002841 (CHEMBL3233933) Show SMILES Cn1c2ccccc2c(N)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O Show InChI InChI=1S/C24H28N4O2/c1-27-20-10-6-5-9-19(20)22(25)21(24(27)30)23(29)26-15-17-11-13-28(14-12-17)16-18-7-3-2-4-8-18/h2-10,17H,11-16,25H2,1H3,(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002854 (CHEMBL3233928) Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C29H29N3O3/c33-27-24-13-7-8-14-25(24)32(20-22-11-5-2-6-12-22)29(35)26(27)28(34)30-23-15-17-31(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,33H,15-20H2,(H,30,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002839 (CHEMBL3233931) Show SMILES Cc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C24H27N3O2/c1-17-20-9-5-6-10-21(20)26-24(29)22(17)23(28)25-15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3,(H,25,28)(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002843 (CHEMBL3233935) Show SMILES Oc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1O Show InChI InChI=1S/C23H25N3O5/c27-18-10-16-17(11-19(18)28)25-23(31)20(21(16)29)22(30)24-12-14-6-8-26(9-7-14)13-15-4-2-1-3-5-15/h1-5,10-11,14,27-28H,6-9,12-13H2,(H,24,30)(H2,25,29,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002855 (CHEMBL3233929) Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C30H31N3O3/c34-28-25-13-7-8-14-26(25)33(21-24-11-5-2-6-12-24)30(36)27(28)29(35)31-19-22-15-17-32(18-16-22)20-23-9-3-1-4-10-23/h1-14,22,34H,15-21H2,(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002848 (CHEMBL3233940) Show SMILES COc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(OC)c1O Show InChI InChI=1S/C32H35N3O6/c1-40-26-16-23(17-27(41-2)30(26)37)20-35-25-11-7-6-10-24(25)29(36)28(32(35)39)31(38)33-18-21-12-14-34(15-13-21)19-22-8-4-3-5-9-22/h3-11,16-17,21,36-37H,12-15,18-20H2,1-2H3,(H,33,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50002843 (CHEMBL3233935) Show SMILES Oc1cc2[nH]c(=O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(O)c2cc1O Show InChI InChI=1S/C23H25N3O5/c27-18-10-16-17(11-19(18)28)25-23(31)20(21(16)29)22(30)24-12-14-6-8-26(9-7-14)13-15-4-2-1-3-5-15/h1-5,10-11,14,27-28H,6-9,12-13H2,(H,24,30)(H2,25,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challeng...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002841 (CHEMBL3233933) Show SMILES Cn1c2ccccc2c(N)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O Show InChI InChI=1S/C24H28N4O2/c1-27-20-10-6-5-9-19(20)22(25)21(24(27)30)23(29)26-15-17-11-13-28(14-12-17)16-18-7-3-2-4-8-18/h2-10,17H,11-16,25H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002851 (CHEMBL3233664) Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C23H25N3O3/c27-21-18-8-4-5-9-19(18)25-23(29)20(21)22(28)24-14-16-10-12-26(13-11-16)15-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,28)(H2,25,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002852 (CHEMBL3233926) Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O Show InChI InChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)21(27)20(23(25)29)22(28)24-17-11-13-26(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,27H,11-15H2,1H3,(H,24,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					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	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002845 (CHEMBL3233937) Show SMILES Cn1c2cc(O)c(O)cc2c(O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O Show InChI InChI=1S/C24H27N3O5/c1-26-18-12-20(29)19(28)11-17(18)22(30)21(24(26)32)23(31)25-13-15-7-9-27(10-8-15)14-16-5-3-2-4-6-16/h2-6,11-12,15,28-30H,7-10,13-14H2,1H3,(H,25,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002850 (CHEMBL3233663) Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C22H23N3O3/c26-20-17-8-4-5-9-18(17)24-22(28)19(20)21(27)23-16-10-12-25(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,27)(H2,24,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002837 (CHEMBL3233930) Show SMILES Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C23H25N3O2/c1-16-19-9-5-6-10-20(19)25-23(28)21(16)22(27)24-18-11-13-26(14-12-18)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3,(H,24,27)(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Arginase-1 (Bos taurus)	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis				Citation and Details Article DOI: 10.1039/d0md00011f BindingDB Entry DOI: 10.7270/Q261140V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002844 (CHEMBL3233936) Show SMILES Cl.COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(C)c2cc1OC Show InChI InChI=1S/C26H31N3O5.ClH/c1-28-20-14-22(34-3)21(33-2)13-19(20)24(30)23(26(28)32)25(31)27-15-17-9-11-29(12-10-17)16-18-7-5-4-6-8-18;/h4-8,13-14,17,30H,9-12,15-16H2,1-3H3,(H,27,31);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002849 (CHEMBL3233941) Show SMILES Oc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(O)c1O Show InChI InChI=1S/C30H31N3O6/c34-24-14-21(15-25(35)28(24)37)18-33-23-9-5-4-8-22(23)27(36)26(30(33)39)29(38)31-16-19-10-12-32(13-11-19)17-20-6-2-1-3-7-20/h1-9,14-15,19,34-37H,10-13,16-18H2,(H,31,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002853 (CHEMBL3233927) Show SMILES Cn1c2ccccc2c(O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O Show InChI InChI=1S/C24H27N3O3/c1-26-20-10-6-5-9-19(20)22(28)21(24(26)30)23(29)25-15-17-11-13-27(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,28H,11-16H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50335636 (CHEMBL1651811 | N-[2-({2-[(2-Aminoethyl)amino]ethy...) Show SMILES Cn1c2ccccc2c(O)c(C(=O)NCCNCCNCCN)c1=O Show InChI InChI=1S/C17H25N5O3/c1-22-13-5-3-2-4-12(13)15(23)14(17(22)25)16(24)21-11-10-20-9-8-19-7-6-18/h2-5,19-20,23H,6-11,18H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Franche-Comté Curated by ChEMBL					Assay Description Inhibition of horse serum BChE after 15 mins by Ellman's method				Eur J Med Chem 46: 1-10 (2010) Article DOI: 10.1016/j.ejmech.2010.08.054 BindingDB Entry DOI: 10.7270/Q2NZ87X6
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	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	PDB Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis				Citation and Details Article DOI: 10.1039/d0md00011f BindingDB Entry DOI: 10.7270/Q261140V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50335633 (CHEMBL1651814 | rac-3-Ethyl-4-methyl-7-nitro-6,10b...) Show SMILES CCN1C(=O)NC2C(C(=O)Nc3c2cccc3[N+]([O-])=O)=C1C |c:21| Show InChI InChI=1S/C14H14N4O4/c1-3-17-7(2)10-12(16-14(17)20)8-5-4-6-9(18(21)22)11(8)15-13(10)19/h4-6,12H,3H2,1-2H3,(H,15,19)(H,16,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Franche-Comté Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 15 mins by Ellman's method				Eur J Med Chem 46: 1-10 (2010) Article DOI: 10.1016/j.ejmech.2010.08.054 BindingDB Entry DOI: 10.7270/Q2NZ87X6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002851 (CHEMBL3233664) Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C23H25N3O3/c27-21-18-8-4-5-9-19(18)25-23(29)20(21)22(28)24-14-16-10-12-26(13-11-16)15-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,28)(H2,25,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50335634 (CHEMBL1651813 | rac-3,4-Dimethyl-7-nitro-6,10b-dih...) Show SMILES CN1C(=O)NC2C(C(=O)Nc3c2cccc3[N+]([O-])=O)=C1C |c:20| Show InChI InChI=1S/C13H12N4O4/c1-6-9-11(15-13(19)16(6)2)7-4-3-5-8(17(20)21)10(7)14-12(9)18/h3-5,11H,1-2H3,(H,14,18)(H,15,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Franche-Comté Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 15 mins by Ellman's method				Eur J Med Chem 46: 1-10 (2010) Article DOI: 10.1016/j.ejmech.2010.08.054 BindingDB Entry DOI: 10.7270/Q2NZ87X6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002840 (CHEMBL3233932) Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c32-27(29-22-15-17-31(18-16-22)19-20-9-3-1-4-10-20)26-25(21-11-5-2-6-12-21)23-13-7-8-14-24(23)30-28(26)33/h1-14,22H,15-19H2,(H,29,32)(H,30,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002847 (CHEMBL3233939) Show SMILES Cl.Oc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1O Show InChI InChI=1S/C30H31N3O5.ClH/c34-25-15-23-24(16-26(25)35)33(19-22-9-5-2-6-10-22)30(38)27(28(23)36)29(37)31-17-20-11-13-32(14-12-20)18-21-7-3-1-4-8-21;/h1-10,15-16,20,34-36H,11-14,17-19H2,(H,31,37);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002849 (CHEMBL3233941) Show SMILES Oc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(O)c1O Show InChI InChI=1S/C30H31N3O6/c34-24-14-21(15-25(35)28(24)37)18-33-23-9-5-4-8-22(23)27(36)26(30(33)39)29(38)31-16-19-10-12-32(13-11-19)17-20-6-2-1-3-7-20/h1-9,14-15,19,34-37H,10-13,16-18H2,(H,31,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002850 (CHEMBL3233663) Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C22H23N3O3/c26-20-17-8-4-5-9-18(17)24-22(28)19(20)21(27)23-16-10-12-25(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,27)(H2,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002852 (CHEMBL3233926) Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O Show InChI InChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)21(27)20(23(25)29)22(28)24-17-11-13-26(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,27H,11-15H2,1H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002854 (CHEMBL3233928) Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C29H29N3O3/c33-27-24-13-7-8-14-25(24)32(20-22-11-5-2-6-12-22)29(35)26(27)28(34)30-23-15-17-31(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,33H,15-20H2,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002855 (CHEMBL3233929) Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C30H31N3O3/c34-28-25-13-7-8-14-26(25)33(21-24-11-5-2-6-12-24)30(36)27(28)29(35)31-19-22-15-17-32(18-16-22)20-23-9-3-1-4-10-23/h1-14,22,34H,15-21H2,(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002837 (CHEMBL3233930) Show SMILES Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C23H25N3O2/c1-16-19-9-5-6-10-20(19)25-23(28)21(16)22(27)24-18-11-13-26(14-12-18)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3,(H,24,27)(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002839 (CHEMBL3233931) Show SMILES Cc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C24H27N3O2/c1-17-20-9-5-6-10-21(20)26-24(29)22(17)23(28)25-15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3,(H,25,28)(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50002840 (CHEMBL3233932) Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c32-27(29-22-15-17-31(18-16-22)19-20-9-3-1-4-10-20)26-25(21-11-5-2-6-12-21)23-13-7-8-14-24(23)30-28(26)33/h1-14,22H,15-19H2,(H,29,32)(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50002847 (CHEMBL3233939) Show SMILES Cl.Oc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1O Show InChI InChI=1S/C30H31N3O5.ClH/c34-25-15-23-24(16-26(25)35)33(19-22-9-5-2-6-10-22)30(38)27(28(23)36)29(37)31-17-20-11-13-32(14-12-20)18-21-7-3-1-4-8-21;/h1-10,15-16,20,34-36H,11-14,17-19H2,(H,31,37);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
					More data for this Ligand-Target Pair

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