Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50049119   

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 (Homo sapiens (Human))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate pretreat...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234768 (CHEMBL4085738) Show SMILES COc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-11-8-15(9-12-17)21-19-13-10-16-5-4-14-28-24(16)25(19)31-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234775 (CHEMBL4103664) Show SMILES Cc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O/c1-15-8-10-16(11-9-15)21-19-13-12-17-5-4-14-28-24(17)25(19)30-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234772 (CHEMBL4067497) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O/c26-22-17-10-4-5-11-19(17)28-25-21(22)20(15-7-2-1-3-8-15)18-13-12-16-9-6-14-27-23(16)24(18)29-25/h1-3,6-9,12-14,20H,4-5,10-11H2,(H2,26,28)	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
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234770 (CHEMBL4077878) Show SMILES COc1ccccc1C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-20-11-5-3-9-17(20)21-18-13-12-15-7-6-14-28-24(15)25(18)31-26-22(21)23(27)16-8-2-4-10-19(16)29-26/h3,5-7,9,11-14,21H,2,4,8,10H2,1H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234774 (CHEMBL4104551) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccc(F)c3)c12 Show InChI InChI=1S/C25H20FN3O/c26-16-7-3-5-15(13-16)20-18-11-10-14-6-4-12-28-23(14)24(18)30-25-21(20)22(27)17-8-1-2-9-19(17)29-25/h3-7,10-13,20H,1-2,8-9H2,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234778 (CHEMBL4088178) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3c(Cl)cccc3Cl)c12 Show InChI InChI=1S/C25H19Cl2N3O/c26-16-7-3-8-17(27)20(16)19-15-11-10-13-5-4-12-29-23(13)24(15)31-25-21(19)22(28)14-6-1-2-9-18(14)30-25/h3-5,7-8,10-12,19H,1-2,6,9H2,(H2,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234771 (CHEMBL4094917) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3F)c12 Show InChI InChI=1S/C25H20FN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					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	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234777 (CHEMBL4080318) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3Br)c12 Show InChI InChI=1S/C25H20BrN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234773 (CHEMBL4065862) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccnc3Br)c12 Show InChI InChI=1S/C24H19BrN4O/c25-23-16(7-4-12-28-23)18-15-10-9-13-5-3-11-27-21(13)22(15)30-24-19(18)20(26)14-6-1-2-8-17(14)29-24/h3-5,7,9-12,18H,1-2,6,8H2,(H2,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234777 (CHEMBL4080318) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3Br)c12 Show InChI InChI=1S/C25H20BrN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234776 (CHEMBL4066907) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C25H20N4O3/c26-22-17-5-1-2-6-19(17)28-25-21(22)20(14-7-10-16(11-8-14)29(30)31)18-12-9-15-4-3-13-27-23(15)24(18)32-25/h3-4,7-13,20H,1-2,5-6H2,(H2,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234767 (CHEMBL4093479) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccncc3)c12 Show InChI InChI=1S/C24H20N4O/c25-21-16-5-1-2-6-18(16)28-24-20(21)19(14-9-12-26-13-10-14)17-8-7-15-4-3-11-27-22(15)23(17)29-24/h3-4,7-13,19H,1-2,5-6H2,(H2,25,28)	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
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234775 (CHEMBL4103664) Show SMILES Cc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O/c1-15-8-10-16(11-9-15)21-19-13-12-17-5-4-14-28-24(17)25(19)30-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234771 (CHEMBL4094917) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3F)c12 Show InChI InChI=1S/C25H20FN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	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	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234772 (CHEMBL4067497) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O/c26-22-17-10-4-5-11-19(17)28-25-21(22)20(15-7-2-1-3-8-15)18-13-12-16-9-6-14-27-23(16)24(18)29-25/h1-3,6-9,12-14,20H,4-5,10-11H2,(H2,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234768 (CHEMBL4085738) Show SMILES COc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-11-8-15(9-12-17)21-19-13-10-16-5-4-14-28-24(16)25(19)31-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234768 (CHEMBL4085738) Show SMILES COc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-11-8-15(9-12-17)21-19-13-10-16-5-4-14-28-24(16)25(19)31-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)	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	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234770 (CHEMBL4077878) Show SMILES COc1ccccc1C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-20-11-5-3-9-17(20)21-18-13-12-15-7-6-14-28-24(15)25(18)31-26-22(21)23(27)16-8-2-4-10-19(16)29-26/h3,5-7,9,11-14,21H,2,4,8,10H2,1H3,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234772 (CHEMBL4067497) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O/c26-22-17-10-4-5-11-19(17)28-25-21(22)20(15-7-2-1-3-8-15)18-13-12-16-9-6-14-27-23(16)24(18)29-25/h1-3,6-9,12-14,20H,4-5,10-11H2,(H2,26,28)	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	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234774 (CHEMBL4104551) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccc(F)c3)c12 Show InChI InChI=1S/C25H20FN3O/c26-16-7-3-5-15(13-16)20-18-11-10-14-6-4-12-28-23(14)24(18)30-25-21(20)22(27)17-8-1-2-9-19(17)29-25/h3-7,10-13,20H,1-2,8-9H2,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234775 (CHEMBL4103664) Show SMILES Cc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O/c1-15-8-10-16(11-9-15)21-19-13-12-17-5-4-14-28-24(17)25(19)30-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)	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	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234773 (CHEMBL4065862) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccnc3Br)c12 Show InChI InChI=1S/C24H19BrN4O/c25-23-16(7-4-12-28-23)18-15-10-9-13-5-3-11-27-21(13)22(15)30-24-19(18)20(26)14-6-1-2-8-17(14)29-24/h3-5,7,9-12,18H,1-2,6,8H2,(H2,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair