Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'alabiso' and Initial = 'f'   

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))	BDBM50278990 (CHEMBL4164524) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2ccccc2)cc(Cl)n1 Show InChI InChI=1S/C18H21Cl2N3O2/c19-16-11-15(12-17(20)23-16)22-18(24)25-10-6-2-5-9-21-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13H2,(H,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278986 (CHEMBL4161860) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1ccccc1 Show InChI InChI=1S/C19H23Cl2N3O/c20-17-12-16(13-18(21)24-17)19(25)23-11-7-2-1-6-10-22-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,1-2,6-7,10-11,14H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278968 (CHEMBL4164186) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2c[nH]c3ccccc23)cc(Cl)n1 Show InChI InChI=1S/C20H22Cl2N4O2/c21-18-10-15(11-19(22)26-18)25-20(27)28-9-5-1-4-8-23-12-14-13-24-17-7-3-2-6-16(14)17/h2-3,6-7,10-11,13,23-24H,1,4-5,8-9,12H2,(H,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278987 (CHEMBL4165299) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24Cl2N4O/c22-19-11-15(12-20(23)27-19)21(28)25-10-6-2-1-5-9-24-13-16-14-26-18-8-4-3-7-17(16)18/h3-4,7-8,11-12,14,24,26H,1-2,5-6,9-10,13H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278969 (CHEMBL4160790) Show SMILES Clc1cc(NC(=O)OCCCCCCNCc2ccccc2)cc(Cl)n1 Show InChI InChI=1S/C19H23Cl2N3O2/c20-17-12-16(13-18(21)24-17)23-19(25)26-11-7-2-1-6-10-22-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,1-2,6-7,10-11,14H2,(H,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278984 (CHEMBL4168710) Show SMILES COc1ccccc1CNCCCCCOC(=O)Nc1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C19H23Cl2N3O3/c1-26-16-8-4-3-7-14(16)13-22-9-5-2-6-10-27-19(25)23-15-11-17(20)24-18(21)12-15/h3-4,7-8,11-12,22H,2,5-6,9-10,13H2,1H3,(H,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278970 (CHEMBL4175914) Show SMILES COc1ccccc1CNCCCCCCNC(=O)c1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C20H25Cl2N3O2/c1-27-17-9-5-4-8-15(17)14-23-10-6-2-3-7-11-24-20(26)16-12-18(21)25-19(22)13-16/h4-5,8-9,12-13,23H,2-3,6-7,10-11,14H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278983 (CHEMBL4172510) Show SMILES Brc1cnccc1NC(=O)OCCCCCNCc1ccccc1 Show InChI InChI=1S/C18H22BrN3O2/c19-16-14-21-11-9-17(16)22-18(23)24-12-6-2-5-10-20-13-15-7-3-1-4-8-15/h1,3-4,7-9,11,14,20H,2,5-6,10,12-13H2,(H,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					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	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278990 (CHEMBL4164524) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2ccccc2)cc(Cl)n1 Show InChI InChI=1S/C18H21Cl2N3O2/c19-16-11-15(12-17(20)23-16)22-18(24)25-10-6-2-5-9-21-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13H2,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	424	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278968 (CHEMBL4164186) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2c[nH]c3ccccc23)cc(Cl)n1 Show InChI InChI=1S/C20H22Cl2N4O2/c21-18-10-15(11-19(22)26-18)25-20(27)28-9-5-1-4-8-23-12-14-13-24-17-7-3-2-6-16(14)17/h2-3,6-7,10-11,13,23-24H,1,4-5,8-9,12H2,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	648	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278969 (CHEMBL4160790) Show SMILES Clc1cc(NC(=O)OCCCCCCNCc2ccccc2)cc(Cl)n1 Show InChI InChI=1S/C19H23Cl2N3O2/c20-17-12-16(13-18(21)24-17)23-19(25)26-11-7-2-1-6-10-22-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,1-2,6-7,10-11,14H2,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	759	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278968 (CHEMBL4164186) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2c[nH]c3ccccc23)cc(Cl)n1 Show InChI InChI=1S/C20H22Cl2N4O2/c21-18-10-15(11-19(22)26-18)25-20(27)28-9-5-1-4-8-23-12-14-13-24-17-7-3-2-6-16(14)17/h2-3,6-7,10-11,13,23-24H,1,4-5,8-9,12H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	828	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278986 (CHEMBL4161860) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1ccccc1 Show InChI InChI=1S/C19H23Cl2N3O/c20-17-12-16(13-18(21)24-17)19(25)23-11-7-2-1-6-10-22-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,1-2,6-7,10-11,14H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278969 (CHEMBL4160790) Show SMILES Clc1cc(NC(=O)OCCCCCCNCc2ccccc2)cc(Cl)n1 Show InChI InChI=1S/C19H23Cl2N3O2/c20-17-12-16(13-18(21)24-17)23-19(25)26-11-7-2-1-6-10-22-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,1-2,6-7,10-11,14H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278984 (CHEMBL4168710) Show SMILES COc1ccccc1CNCCCCCOC(=O)Nc1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C19H23Cl2N3O3/c1-26-16-8-4-3-7-14(16)13-22-9-5-2-6-10-27-19(25)23-15-11-17(20)24-18(21)12-15/h3-4,7-8,11-12,22H,2,5-6,9-10,13H2,1H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278983 (CHEMBL4172510) Show SMILES Brc1cnccc1NC(=O)OCCCCCNCc1ccccc1 Show InChI InChI=1S/C18H22BrN3O2/c19-16-14-21-11-9-17(16)22-18(23)24-12-6-2-5-10-20-13-15-7-3-1-4-8-15/h1,3-4,7-9,11,14,20H,2,5-6,10,12-13H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278990 (CHEMBL4164524) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2ccccc2)cc(Cl)n1 Show InChI InChI=1S/C18H21Cl2N3O2/c19-16-11-15(12-17(20)23-16)22-18(24)25-10-6-2-5-9-21-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278987 (CHEMBL4165299) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24Cl2N4O/c22-19-11-15(12-20(23)27-19)21(28)25-10-6-2-1-5-9-24-13-16-14-26-18-8-4-3-7-17(16)18/h3-4,7-8,11-12,14,24,26H,1-2,5-6,9-10,13H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278983 (CHEMBL4172510) Show SMILES Brc1cnccc1NC(=O)OCCCCCNCc1ccccc1 Show InChI InChI=1S/C18H22BrN3O2/c19-16-14-21-11-9-17(16)22-18(23)24-12-6-2-5-10-20-13-15-7-3-1-4-8-15/h1,3-4,7-9,11,14,20H,2,5-6,10,12-13H2,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278984 (CHEMBL4168710) Show SMILES COc1ccccc1CNCCCCCOC(=O)Nc1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C19H23Cl2N3O3/c1-26-16-8-4-3-7-14(16)13-22-9-5-2-6-10-27-19(25)23-15-11-17(20)24-18(21)12-15/h3-4,7-8,11-12,22H,2,5-6,9-10,13H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278970 (CHEMBL4175914) Show SMILES COc1ccccc1CNCCCCCCNC(=O)c1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C20H25Cl2N3O2/c1-27-17-9-5-4-8-15(17)14-23-10-6-2-3-7-11-24-20(26)16-12-18(21)25-19(22)13-16/h4-5,8-9,12-13,23H,2-3,6-7,10-11,14H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278985 (CHEMBL4172060) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2ccc(Oc3ccccc3)cc2)cc(Cl)n1 Show InChI InChI=1S/C24H25Cl2N3O3/c25-22-15-19(16-23(26)29-22)28-24(30)31-14-6-2-5-13-27-17-18-9-11-21(12-10-18)32-20-7-3-1-4-8-20/h1,3-4,7-12,15-16,27H,2,5-6,13-14,17H2,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278987 (CHEMBL4165299) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24Cl2N4O/c22-19-11-15(12-20(23)27-19)21(28)25-10-6-2-1-5-9-24-13-16-14-26-18-8-4-3-7-17(16)18/h3-4,7-8,11-12,14,24,26H,1-2,5-6,9-10,13H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278988 (CHEMBL4163781) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1ccc2ccccc2c1 Show InChI InChI=1S/C23H25Cl2N3O/c24-21-14-20(15-22(25)28-21)23(29)27-12-6-2-1-5-11-26-16-17-9-10-18-7-3-4-8-19(18)13-17/h3-4,7-10,13-15,26H,1-2,5-6,11-12,16H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278986 (CHEMBL4161860) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1ccccc1 Show InChI InChI=1S/C19H23Cl2N3O/c20-17-12-16(13-18(21)24-17)19(25)23-11-7-2-1-6-10-22-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,1-2,6-7,10-11,14H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278970 (CHEMBL4175914) Show SMILES COc1ccccc1CNCCCCCCNC(=O)c1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C20H25Cl2N3O2/c1-27-17-9-5-4-8-15(17)14-23-10-6-2-3-7-11-24-20(26)16-12-18(21)25-19(22)13-16/h4-5,8-9,12-13,23H,2-3,6-7,10-11,14H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278988 (CHEMBL4163781) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1ccc2ccccc2c1 Show InChI InChI=1S/C23H25Cl2N3O/c24-21-14-20(15-22(25)28-21)23(29)27-12-6-2-1-5-11-26-16-17-9-10-18-7-3-4-8-19(18)13-17/h3-4,7-10,13-15,26H,1-2,5-6,11-12,16H2,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair