BDBM50505208 CHEMBL3311040

SMILES: COc1ccc(cc1OC)-c1coc2c3C=CC(C)(C)Oc3ccc2c1=O

InChI Key: InChIKey=BRFOUIGDZGRCOL-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50505208   

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
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50505208 (CHEMBL3311040) Show SMILES COc1ccc(cc1OC)-c1coc2c3C=CC(C)(C)Oc3ccc2c1=O |c:16| Show InChI InChI=1S/C22H20O5/c1-22(2)10-9-14-17(27-22)8-6-15-20(23)16(12-26-21(14)15)13-5-7-18(24-3)19(11-13)25-4/h5-12H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Mixed type inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate by Ellman's method based Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 29: 1194-1198 (2019) Article DOI: 10.1016/j.bmcl.2019.03.024
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50505208 (CHEMBL3311040) Show SMILES COc1ccc(cc1OC)-c1coc2c3C=CC(C)(C)Oc3ccc2c1=O |c:16| Show InChI InChI=1S/C22H20O5/c1-22(2)10-9-14-17(27-22)8-6-15-20(23)16(12-26-21(14)15)13-5-7-18(24-3)19(11-13)25-4/h5-12H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 29: 1194-1198 (2019) Article DOI: 10.1016/j.bmcl.2019.03.024
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50505208 (CHEMBL3311040) Show SMILES COc1ccc(cc1OC)-c1coc2c3C=CC(C)(C)Oc3ccc2c1=O |c:16| Show InChI InChI=1S/C22H20O5/c1-22(2)10-9-14-17(27-22)8-6-15-20(23)16(12-26-21(14)15)13-5-7-18(24-3)19(11-13)25-4/h5-12H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Binding affinity to BChE (unknown origin) assessed as reduction in intrinsic protein fluorescence at 25 degC by fluorescence spectrophotometry				Bioorg Med Chem Lett 29: 1194-1198 (2019) Article DOI: 10.1016/j.bmcl.2019.03.024
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50505208 (CHEMBL3311040) Show SMILES COc1ccc(cc1OC)-c1coc2c3C=CC(C)(C)Oc3ccc2c1=O |c:16| Show InChI InChI=1S/C22H20O5/c1-22(2)10-9-14-17(27-22)8-6-15-20(23)16(12-26-21(14)15)13-5-7-18(24-3)19(11-13)25-4/h5-12H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 29: 1194-1198 (2019) Article DOI: 10.1016/j.bmcl.2019.03.024
					More data for this Ligand-Target Pair