BDBM50321127 CHEMBL1164484::Xestosaprol I

SMILES: C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21

InChI Key: InChIKey=PWROZXKBOIMYBW-NBQZKYEYSA-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 = 50321127   

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))	BDBM50321127 (CHEMBL1164484 | Xestosaprol I) Show SMILES C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 |r,t:9| Show InChI InChI=1S/C20H18O3/c1-20-7-6-16(21)14-10-23-19(17(14)20)18(22)13-8-11-4-2-3-5-12(11)9-15(13)20/h2-5,8-9,14,16,21H,6-7,10H2,1H3/t14-,16+,20-/m0/s1	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	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
					More data for this Ligand-Target Pair