BDBM400979 US9999624, Compound 4
SMILES: COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1
InChI Key: InChIKey=VQSRKMNBWMHJKY-YTEVENLXSA-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)) | BDBM400979![]() (US9999624, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 0.615 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development Curated by ChEMBL | Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells after 16 to 24 hrs by FRET assay | Bioorg Med Chem Lett 29: 761-777 (2019) Article DOI: 10.1016/j.bmcl.2018.12.049 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM400979![]() (US9999624, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 0.615 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institutes for Biological Sciences | Assay Description Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20× in KH2PO4 buffer. Ten μL of each dilution ... | Bioorg Med Chem 17: 7301-12 (2009) BindingDB Entry DOI: 10.7270/Q27H1MZB | |||||||||||
More data for this Ligand-Target Pair |