null
SMILES: Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N
InChI Key: InChIKey=JJMGWWLDRBWVOL-FQEVSTJZSA-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)) | BDBM50457592 (CHEMBL4204742) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 ... | J Med Chem 61: 5122-5137 (2018) Article DOI: 10.1021/acs.jmedchem.8b00002 BindingDB Entry DOI: 10.7270/Q27W6FSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50457592 (CHEMBL4204742) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 (43 to 545 residues) expressed in Escherichia coli BL21(DE3) using APP Swedish Lys-Met/Asn-Leu mutant as substr... | J Med Chem 61: 5122-5137 (2018) Article DOI: 10.1021/acs.jmedchem.8b00002 BindingDB Entry DOI: 10.7270/Q27W6FSQ | |||||||||||
More data for this Ligand-Target Pair |