Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50043905   

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))	BDBM50448214 (CHEMBL3120707) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for ...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448218 (CHEMBL3120710) Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(Br)cc3)c12 Show InChI InChI=1S/C22H19BrN2O2/c23-13-7-5-12(6-8-13)19-16-10-9-14(26)11-18(16)27-22-20(19)21(24)15-3-1-2-4-17(15)25-22/h5-11,19,26H,1-4H2,(H2,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					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	40	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448214 (CHEMBL3120707) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448216 (CHEMBL3120708) Show SMILES Cc1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C23H22N2O2/c1-13-6-8-14(9-7-13)20-17-11-10-15(26)12-19(17)27-23-21(20)22(24)16-4-2-3-5-18(16)25-23/h6-12,20,26H,2-5H2,1H3,(H2,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448219 (CHEMBL3120712) Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(F)cc3)c12 Show InChI InChI=1S/C22H19FN2O2/c23-13-7-5-12(6-8-13)19-16-10-9-14(26)11-18(16)27-22-20(19)21(24)15-3-1-2-4-17(15)25-22/h5-11,19,26H,1-4H2,(H2,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448215 (CHEMBL3120706) Show SMILES CN(C)c1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C24H25N3O2/c1-27(2)15-9-7-14(8-10-15)21-18-12-11-16(28)13-20(18)29-24-22(21)23(25)17-5-3-4-6-19(17)26-24/h7-13,21,28H,3-6H2,1-2H3,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448217 (CHEMBL3120709) Show SMILES COc1ccc(cc1)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C23H22N2O3/c1-27-15-9-6-13(7-10-15)20-17-11-8-14(26)12-19(17)28-23-21(20)22(24)16-4-2-3-5-18(16)25-23/h6-12,20,26H,2-5H2,1H3,(H2,24,25)	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
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448220 (CHEMBL3120711) Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccccc3)c12 Show InChI InChI=1S/C22H20N2O2/c23-21-15-8-4-5-9-17(15)24-22-20(21)19(13-6-2-1-3-7-13)16-11-10-14(25)12-18(16)26-22/h1-3,6-7,10-12,19,25H,4-5,8-9H2,(H2,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair