BDBM50389621 CHEMBL2069762::CHEMBL2069784

SMILES: COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1

InChI Key: InChIKey=SOYYOVUCJKOPDH-NRFANRHFSA-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 = 50389621   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50389621 (CHEMBL2069762 | CHEMBL2069784) Show SMILES COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C25H20N2O6/c1-32-19-13-9-15(10-14-19)21-20-22(33-27(21)18-5-3-2-4-6-18)24(29)26(23(20)28)17-11-7-16(8-12-17)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.8	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 20: 521-30 (2011) Article DOI: 10.1016/j.bmc.2011.05.027 BindingDB Entry DOI: 10.7270/Q22B903F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50389621 (CHEMBL2069762 | CHEMBL2069784) Show SMILES COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C25H20N2O6/c1-32-19-13-9-15(10-14-19)21-20-22(33-27(21)18-5-3-2-4-6-18)24(29)26(23(20)28)17-11-7-16(8-12-17)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 20: 521-30 (2011) Article DOI: 10.1016/j.bmc.2011.05.027 BindingDB Entry DOI: 10.7270/Q22B903F
					More data for this Ligand-Target Pair