BDBM50276059 CHEMBL4126201

SMILES: COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

InChI Key: InChIKey=DSTKWWUMSHCRBO-DTHWWUIMSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50276059   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholinesterase (Equus caballus (Horse))	BDBM50276059 (CHEMBL4126201) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C30H30O13/c1-15(31)37-14-23-26(38-16(2)32)28(39-17(3)33)29(40-18(4)34)30(42-23)43-27-24(35)21-8-6-7-9-22(21)41-25(27)19-10-12-20(36-5)13-11-19/h6-13,23,26,28-30H,14H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276059 (CHEMBL4126201) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C30H30O13/c1-15(31)37-14-23-26(38-16(2)32)28(39-17(3)33)29(40-18(4)34)30(42-23)43-27-24(35)21-8-6-7-9-22(21)41-25(27)19-10-12-20(36-5)13-11-19/h6-13,23,26,28-30H,14H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair