BDBM50018962 CHEMBL3287409

SMILES: COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C

InChI Key: InChIKey=SUWMBRRWYKHHDH-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50018962   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50018962 (CHEMBL3287409) Show SMILES COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C Show InChI InChI=1S/C18H14O7/c1-7-10(23-2)6-12-14(15(7)20)16(21)13-9-4-3-8(19)5-11(9)25-18(22)17(13)24-12/h3-6,18-20,22H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Non-competitive inhibition of BACE1 (unknown origin) by Dixon plot analysis				Bioorg Med Chem Lett 24: 2945-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.060 BindingDB Entry DOI: 10.7270/Q2NV9KSW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50018962 (CHEMBL3287409) Show SMILES COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C Show InChI InChI=1S/C18H14O7/c1-7-10(23-2)6-12-14(15(7)20)16(21)13-9-4-3-8(19)5-11(9)25-18(22)17(13)24-12/h3-6,18-20,22H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 24: 2945-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.060 BindingDB Entry DOI: 10.7270/Q2NV9KSW
					More data for this Ligand-Target Pair