Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50048221   

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))	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...				Eur J Med Chem 124: 1026-1040 (2016) Article DOI: 10.1016/j.ejmech.2016.10.042 BindingDB Entry DOI: 10.7270/Q21838HV
					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	372	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...				Eur J Med Chem 124: 1026-1040 (2016) Article DOI: 10.1016/j.ejmech.2016.10.042 BindingDB Entry DOI: 10.7270/Q21838HV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50208732 (CHEMBL3883808) Show SMILES COc1cc2C\C(=C\c3ccc(cc3)N3CCN(CCCN(C)C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C27H35N3O3/c1-28(2)10-5-11-29-12-14-30(15-13-29)23-8-6-20(7-9-23)16-22-17-21-18-25(32-3)26(33-4)19-24(21)27(22)31/h6-9,16,18-19H,5,10-15,17H2,1-4H3/b22-16-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...				Eur J Med Chem 124: 1026-1040 (2016) Article DOI: 10.1016/j.ejmech.2016.10.042 BindingDB Entry DOI: 10.7270/Q21838HV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50208731 (CHEMBL3884142) Show SMILES COc1ccc2C\C(=C\c3ccc(cc3)N3CCN(CCCN(C)C)CC3)C(=O)c2c1 Show InChI InChI=1S/C26H33N3O2/c1-27(2)11-4-12-28-13-15-29(16-14-28)23-8-5-20(6-9-23)17-22-18-21-7-10-24(31-3)19-25(21)26(22)30/h5-10,17,19H,4,11-16,18H2,1-3H3/b22-17-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...				Eur J Med Chem 124: 1026-1040 (2016) Article DOI: 10.1016/j.ejmech.2016.10.042 BindingDB Entry DOI: 10.7270/Q21838HV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50208733 (CHEMBL3884047) Show SMILES COc1cc2C\C(=C\c3ccc(cc3)N3CCN(CCN(C)C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C26H33N3O3/c1-27(2)9-10-28-11-13-29(14-12-28)22-7-5-19(6-8-22)15-21-16-20-17-24(31-3)25(32-4)18-23(20)26(21)30/h5-8,15,17-18H,9-14,16H2,1-4H3/b21-15-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...				Eur J Med Chem 124: 1026-1040 (2016) Article DOI: 10.1016/j.ejmech.2016.10.042 BindingDB Entry DOI: 10.7270/Q21838HV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50208730 (CHEMBL3883563) Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C/c1ccc(cc1)N1CCN(CCCN(C)C)CC1 Show InChI InChI=1S/C26H33N3O2/c1-27(2)11-4-12-28-13-15-29(16-14-28)23-7-5-20(6-8-23)17-22-18-21-19-24(31-3)9-10-25(21)26(22)30/h5-10,17,19H,4,11-16,18H2,1-3H3/b22-17-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for ...				Eur J Med Chem 124: 1026-1040 (2016) Article DOI: 10.1016/j.ejmech.2016.10.042 BindingDB Entry DOI: 10.7270/Q21838HV
					More data for this Ligand-Target Pair