BDBM50081643 CHEMBL3422240::US9260455, 2
SMILES: [H][C@@]12C[C@H](COC)OC[C@@]1(N=C(N)S[C@@H]2C)c1ccc(F)cc1F
InChI Key: InChIKey=VWZBYKQRKVQAQK-QBTOZTBISA-N
Data: 3 IC50
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 (BACE1) (Homo sapiens (Human)) | BDBM50081643 (CHEMBL3422240 | US9260455, 2) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 737 | n/a | n/a | n/a | n/a | 4.5 | 37 |
Pfizer Inc. US Patent | Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr... | US Patent US9260455 (2016) BindingDB Entry DOI: 10.7270/Q2GB22WN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50081643 (CHEMBL3422240 | US9260455, 2) | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of BACE1 in human H4 cells overexpressing wild type human APP695 assessed as colorimetric reaction by Whole cell assay | J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM50081643 (CHEMBL3422240 | US9260455, 2) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | 4.5 | 37 |
Pfizer Inc. US Patent | Assay Description This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ... | US Patent US9260455 (2016) BindingDB Entry DOI: 10.7270/Q2GB22WN | |||||||||||
More data for this Ligand-Target Pair |