BDBM50340591 Acetic acid 5'-acetoxy-4-trifluoromethyl-[1,1';4',1'']terphenyl-2'-yl ester::CHEMBL1762686
SMILES: CC(=O)Oc1cc(c(OC(C)=O)cc1-c1ccccc1)-c1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=OOIJDWCZNLQEOD-UHFFFAOYSA-N
Data: 1 IC50
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)) | BDBM50340591 (Acetic acid 5'-acetoxy-4-trifluoromethyl-[1,1';4',...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay | Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG | |||||||||||
More data for this Ligand-Target Pair |