BDBM50305544 (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-(2-oxo-pyrrolidin-1-yl)-11,16-dioxa-3-aza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595100
SMILES: CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(c3)C(=O)N1)N1CCCC1=O)c2
InChI Key: InChIKey=UPWNAHZYMBYMAH-SZAHLOSFSA-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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM50305544 ((S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyc...) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedicalResearch Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli | Bioorg Med Chem Lett 20: 603-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.092 BindingDB Entry DOI: 10.7270/Q2H1324C | |||||||||||
More data for this Ligand-Target Pair |