Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10408'   

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...)	BDBM10408 ((1S,12S,14R)-14-hydroxy-9-methoxy-4-methyl-11-oxa-...) Show SMILES COc1ccc2C=[N+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12,t:6| Show InChI InChI=1S/C17H20NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,10,12,14,19H,7-9H2,1-2H3/q+1/t12-,14-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10408 ((1S,12S,14R)-14-hydroxy-9-methoxy-4-methyl-11-oxa-...) Show SMILES COc1ccc2C=[N+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12,t:6| Show InChI InChI=1S/C17H20NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,10,12,14,19H,7-9H2,1-2H3/q+1/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	266	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...)	BDBM10408 ((1S,12S,14R)-14-hydroxy-9-methoxy-4-methyl-11-oxa-...) Show SMILES COc1ccc2C=[N+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12,t:6| Show InChI InChI=1S/C17H20NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,10,12,14,19H,7-9H2,1-2H3/q+1/t12-,14-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	702	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