Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM9017'   

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))	BDBM9017 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9017 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9017 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	30
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair