Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10587'   

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))	BDBM10587 (3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{6-[(6-...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1| Show InChI InChI=1S/C36H40Cl2N4/c1-22-16-23-18-24(17-22)34-33(19-23)42-32-21-26(38)11-13-29(32)36(34)40-15-7-3-2-6-14-39-35-27-8-4-5-9-30(27)41-31-20-25(37)10-12-28(31)35/h10-13,16,20-21,23-24H,2-9,14-15,17-19H2,1H3,(H,39,41)(H,40,42)	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	0.450	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 48: 1701-4 (2005) Article DOI: 10.1021/jm0496741 BindingDB Entry DOI: 10.7270/Q21N7ZB6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10587 (3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{6-[(6-...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1| Show InChI InChI=1S/C36H40Cl2N4/c1-22-16-23-18-24(17-22)34-33(19-23)42-32-21-26(38)11-13-29(32)36(34)40-15-7-3-2-6-14-39-35-27-8-4-5-9-30(27)41-31-20-25(37)10-12-28(31)35/h10-13,16,20-21,23-24H,2-9,14-15,17-19H2,1H3,(H,39,41)(H,40,42)	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	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 m...				J Med Chem 55: 661-9 (2012) Article DOI: 10.1021/jm200840c BindingDB Entry DOI: 10.7270/Q26974KH
					More data for this Ligand-Target Pair