BDBM50379898 CHEMBL2011983
SMILES: CN1C(N)=N[C@](C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1
InChI Key: InChIKey=PNSQCPQDRVOKMA-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)) | BDBM50379898 (CHEMBL2011983) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 110 | 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 of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR... | Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50379898 (CHEMBL2011983) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of BACE1 in HEK293 cells expressing APP swedish and london mutant assessed as decrease of amyloid-beta40 level after 4 hrs by electrochemi... | Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |