Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50260307'   

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))	BDBM50260307 (CHEMBL4089550) Show SMILES COc1cc2CCN(CC3CCN(Cc4cc(C)cc(\C=N\O)c4O)CC3)Cc2cc1OC Show InChI InChI=1S/C26H35N3O4/c1-18-10-21(14-27-31)26(30)23(11-18)17-28-7-4-19(5-8-28)15-29-9-6-20-12-24(32-2)25(33-3)13-22(20)16-29/h10-14,19,30-31H,4-9,15-17H2,1-3H3/b27-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50260307 (CHEMBL4089550) Show SMILES COc1cc2CCN(CC3CCN(Cc4cc(C)cc(\C=N\O)c4O)CC3)Cc2cc1OC Show InChI InChI=1S/C26H35N3O4/c1-18-10-21(14-27-31)26(30)23(11-18)17-28-7-4-19(5-8-28)15-29-9-6-20-12-24(32-2)25(33-3)13-22(20)16-29/h10-14,19,30-31H,4-9,15-17H2,1-3H3/b27-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Reactivation of sarin-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 min...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50260307 (CHEMBL4089550) Show SMILES COc1cc2CCN(CC3CCN(Cc4cc(C)cc(\C=N\O)c4O)CC3)Cc2cc1OC Show InChI InChI=1S/C26H35N3O4/c1-18-10-21(14-27-31)26(30)23(11-18)17-28-7-4-19(5-8-28)15-29-9-6-20-12-24(32-2)25(33-3)13-22(20)16-29/h10-14,19,30-31H,4-9,15-17H2,1-3H3/b27-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Reactivation of sarin-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 min...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50260307 (CHEMBL4089550) Show SMILES COc1cc2CCN(CC3CCN(Cc4cc(C)cc(\C=N\O)c4O)CC3)Cc2cc1OC Show InChI InChI=1S/C26H35N3O4/c1-18-10-21(14-27-31)26(30)23(11-18)17-28-7-4-19(5-8-28)15-29-9-6-20-12-24(32-2)25(33-3)13-22(20)16-29/h10-14,19,30-31H,4-9,15-17H2,1-3H3/b27-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Reactivation of VX-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 mins f...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair