Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10405'   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10405 (2-{8-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-a...) Show SMILES COc1ccc2CN(CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32| Show InChI InChI=1S/C32H38N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,23,27,35H,2-5,8-9,16-21H2,1H3/t23-,27-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	8.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 126: 15405-11 (2004) Article DOI: 10.1021/ja0466154 BindingDB Entry DOI: 10.7270/Q2FX77N1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10405 (2-{8-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-a...) Show SMILES COc1ccc2CN(CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32| Show InChI InChI=1S/C32H38N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,23,27,35H,2-5,8-9,16-21H2,1H3/t23-,27-,32-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	8.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 126: 15405-11 (2004) Article DOI: 10.1021/ja0466154 BindingDB Entry DOI: 10.7270/Q2FX77N1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10405 (2-{8-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-a...) Show SMILES COc1ccc2CN(CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32| Show InChI InChI=1S/C32H38N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,23,27,35H,2-5,8-9,16-21H2,1H3/t23-,27-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	8.0	22
CNRS					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				Bioorg Med Chem 6: 1835-50 (1998) Article DOI: 10.1016/s0968-0896(98)00133-3 BindingDB Entry DOI: 10.7270/Q2B56GZ2
					More data for this Ligand-Target Pair