BDBM50323201 CHEMBL144630::podocarpusflavone B::putraflavone

SMILES: COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1

InChI Key: InChIKey=VRZTWPRKGZGEDI-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50323201   

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))	BDBM50323201 (CHEMBL144630 | podocarpusflavone B | putraflavone) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(24.55,-16.67,;23.22,-17.45,;21.88,-16.69,;21.86,-15.15,;20.52,-14.39,;19.19,-15.18,;19.21,-16.72,;20.55,-17.48,;17.85,-14.43,;17.84,-12.89,;16.5,-12.13,;16.48,-10.59,;15.17,-12.91,;13.83,-12.16,;13.81,-10.61,;12.5,-12.94,;12.52,-14.48,;11.19,-15.26,;13.86,-15.24,;13.88,-16.78,;12.55,-17.56,;12.57,-19.1,;13.91,-19.86,;15.24,-19.07,;15.22,-17.53,;16.54,-16.75,;11.24,-19.88,;9.9,-19.13,;8.57,-19.91,;7.24,-19.16,;8.59,-21.45,;9.93,-22.21,;9.95,-23.75,;8.62,-24.53,;8.64,-26.08,;7.32,-26.86,;7.28,-23.78,;7.26,-22.23,;5.92,-21.48,;11.26,-21.43,;15.19,-14.46,;16.53,-15.21,)| Show InChI InChI=1S/C32H22O10/c1-39-17-6-3-15(4-7-17)26-14-25(38)31-23(36)12-22(35)29(32(31)42-26)19-9-16(5-8-20(19)33)27-13-24(37)30-21(34)10-18(40-2)11-28(30)41-27/h3-14,33,35-37H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair