BDBM50005021 CHEMBL2408786::US9650336, Example 3
SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1
InChI Key: InChIKey=FQNMTDWTQKFWEO-AHQGXOPPSA-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 (Homo sapiens (Human)) | BDBM50005021 (CHEMBL2408786 | US9650336, Example 3) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL | Assay Description Inhibition of human BACE1 cloned in HEK293 cells using Eu-CEVNLDAEFK-QSY 7 as substrate preincubated for 10 mins followed by substrate addition measu... | ACS Med Chem Lett 4: 578-9 (2013) Article DOI: 10.1021/ml400177y BindingDB Entry DOI: 10.7270/Q2BR8TP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (aa 1-460) (Homo sapiens (Human)) | BDBM50005021 (CHEMBL2408786 | US9650336, Example 3) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
ASTRAZENECA AB US Patent | Assay Description The cDNA for the soluble part of the human 13-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The... | US Patent US9650336 (2017) BindingDB Entry DOI: 10.7270/Q23X88QM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50005021 (CHEMBL2408786 | US9650336, Example 3) | 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 | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL | Assay Description Inhibition of BACE1 in human SH-SY5Y cells assessed as release of sAPPbeta after 17 hrs | ACS Med Chem Lett 4: 578-9 (2013) Article DOI: 10.1021/ml400177y BindingDB Entry DOI: 10.7270/Q2BR8TP7 | |||||||||||
More data for this Ligand-Target Pair |