BDBM41542 US8865911, 122
SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
InChI Key: InChIKey=MJBZMUZAEXQVAB-UHFFFAOYSA-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)) | BDBM41542![]() (US8865911, 122) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human BACE1 (1 to 460 residues) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measu... | J Med Chem 61: 3491-3502 (2018) Article DOI: 10.1021/acs.jmedchem.7b01716 BindingDB Entry DOI: 10.7270/Q2TX3HVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM41542![]() (US8865911, 122) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | 372 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BACE2 (1 to 473 residues) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measured after 6.... | J Med Chem 61: 3491-3502 (2018) Article DOI: 10.1021/acs.jmedchem.7b01716 BindingDB Entry DOI: 10.7270/Q2TX3HVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM41542![]() (US8865911, 122) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 25 | n/a | n/a | n/a | n/a | 9.2 | n/a |
Astrazeneca AB US Patent | Assay Description The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo... | US Patent US8865911 (2014) BindingDB Entry DOI: 10.7270/Q2T72G4T | |||||||||||
More data for this Ligand-Target Pair |