Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'orlandi' and Initial = 'l'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292422 (CHEMBL4175724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)C1 Show InChI InChI=1S/C20H22N4O4/c25-19-2-1-11-23(14-19)13-16-3-7-17(8-4-16)20(26)22-21-12-15-5-9-18(10-6-15)24(27)28/h3-10,12,19,25H,1-2,11,13-14H2,(H,22,26)/b21-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292419 (CHEMBL4163724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H22ClN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292536 (CHEMBL4170841) Show SMILES CSc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O2S/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292510 (CHEMBL4172314) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCCC2)C1 Show InChI InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292423 (CHEMBL4167867) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292442 (CHEMBL4171226) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1 Show InChI InChI=1S/C20H22FN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292526 (CHEMBL4164436) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)-n2ccnc2)C1 Show InChI InChI=1S/C23H25N5O2/c29-22-2-1-12-27(16-22)15-19-3-7-20(8-4-19)23(30)26-25-14-18-5-9-21(10-6-18)28-13-11-24-17-28/h3-11,13-14,17,22,29H,1-2,12,15-16H2,(H,26,30)/b25-14+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	26	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292422 (CHEMBL4175724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)C1 Show InChI InChI=1S/C20H22N4O4/c25-19-2-1-11-23(14-19)13-16-3-7-17(8-4-16)20(26)22-21-12-15-5-9-18(10-6-15)24(27)28/h3-10,12,19,25H,1-2,11,13-14H2,(H,22,26)/b21-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Binding affinity of [3H]spiroperidol to striatal Dopamine receptor D2 binding sites				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292442 (CHEMBL4171226) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1 Show InChI InChI=1S/C20H22FN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against L cell				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292536 (CHEMBL4170841) Show SMILES CSc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O2S/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292510 (CHEMBL4172314) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCCC2)C1 Show InChI InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292539 (CHEMBL4174394) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Br)cc2)C1 Show InChI InChI=1S/C20H22BrN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292423 (CHEMBL4167867) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292565 (CHEMBL4160612) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCC2)C1 Show InChI InChI=1S/C24H30N4O2/c29-23-4-3-13-27(18-23)17-20-5-9-21(10-6-20)24(30)26-25-16-19-7-11-22(12-8-19)28-14-1-2-15-28/h5-12,16,23,29H,1-4,13-15,17-18H2,(H,26,30)/b25-16+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292566 (CHEMBL4168953) Show SMILES Nc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C20H24N4O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14,21H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292526 (CHEMBL4164436) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)-n2ccnc2)C1 Show InChI InChI=1S/C23H25N5O2/c29-22-2-1-12-27(16-22)15-19-3-7-20(8-4-19)23(30)26-25-14-18-5-9-21(10-6-18)28-13-11-24-17-28/h3-11,13-14,17,22,29H,1-2,12,15-16H2,(H,26,30)/b25-14+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292419 (CHEMBL4163724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H22ClN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292543 (CHEMBL4174008) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccccc2)C1 Show InChI InChI=1S/C20H23N3O2/c24-19-7-4-12-23(15-19)14-17-8-10-18(11-9-17)20(25)22-21-13-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19,24H,4,7,12,14-15H2,(H,22,25)/b21-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50292422 (CHEMBL4175724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)C1 Show InChI InChI=1S/C20H22N4O4/c25-19-2-1-11-23(14-19)13-16-3-7-17(8-4-16)20(26)22-21-12-15-5-9-18(10-6-15)24(27)28/h3-10,12,19,25H,1-2,11,13-14H2,(H,22,26)/b21-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's meth...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50292442 (CHEMBL4171226) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1 Show InChI InChI=1S/C20H22FN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Binding affinity of [3H]spiroperidol to striatal Dopamine receptor D2 binding sites				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50292526 (CHEMBL4164436) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)-n2ccnc2)C1 Show InChI InChI=1S/C23H25N5O2/c29-22-2-1-12-27(16-22)15-19-3-7-20(8-4-19)23(30)26-25-14-18-5-9-21(10-6-18)28-13-11-24-17-28/h3-11,13-14,17,22,29H,1-2,12,15-16H2,(H,26,30)/b25-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Binding affinity of [3H]spiroperidol to striatal Dopamine receptor D2 binding sites				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50292419 (CHEMBL4163724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H22ClN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's meth...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50292510 (CHEMBL4172314) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCCC2)C1 Show InChI InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's meth...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50292536 (CHEMBL4170841) Show SMILES CSc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O2S/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's meth...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50292423 (CHEMBL4167867) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's meth...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair