BDBM50317050 1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-[(3-methylbenzene)sulfonyl]piperazin-2-yl]propan-2-yl]-5-(1,1-dioxo-1,2-thiazinan-2-yl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::CHEMBL1097344
SMILES: C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O)c1ccccc1
InChI Key: InChIKey=AARMPADYPUTMDB-IQVBETABSA-N
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)) | BDBM50317050 (1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition oh BACE1 | Bioorg Med Chem Lett 20: 2837-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.050 BindingDB Entry DOI: 10.7270/Q2BK1CH7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50317050 (1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(...) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of BACE1 expressed in HEK293 cells expressing human APP assessed as amyloid beta42 production | Bioorg Med Chem Lett 20: 2837-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.050 BindingDB Entry DOI: 10.7270/Q2BK1CH7 | |||||||||||
More data for this Ligand-Target Pair |