BDBM50432512 CHEMBL2349468
SMILES: CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O
InChI Key: InChIKey=KITXOXOZOIMSTQ-JOCHJYFZSA-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)) | BDBM50432512 (CHEMBL2349468) | 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 | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay | J Med Chem 56: 3379-403 (2013) Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50432512 (CHEMBL2349468) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly... | J Med Chem 56: 3379-403 (2013) Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50432512 (CHEMBL2349468) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay | J Med Chem 56: 3379-403 (2013) Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50432512 (CHEMBL2349468) | 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 |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly... | J Med Chem 56: 3379-403 (2013) Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50432512 (CHEMBL2349468) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay | J Med Chem 56: 3379-403 (2013) Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50432512 (CHEMBL2349468) | 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 | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay | J Med Chem 56: 3379-403 (2013) Article DOI: 10.1021/jm4002154 BindingDB Entry DOI: 10.7270/Q2JD4Z52 | |||||||||||
More data for this Ligand-Target Pair |