BDBM50329554 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-hydroxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one::CHEMBL1271453
SMILES: CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO
InChI Key: InChIKey=KMESKSVXSOFRDY-OAQYLSRUSA-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)) | BDBM50329554 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...) | 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 | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 expressed in CHO cells assessed as reduction in amyloid beta level by sandwich ELISA | Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50329554 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human BACE1 by FRET assay | Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF | |||||||||||
More data for this Ligand-Target Pair |