BDBM50033405 CHEMBL3357659
SMILES: [H][C@@]12OCCC[C@@]1(C)Oc1ccc(cc1[C@]21N=C(N)N(C)C1=O)-c1cccnc1F
InChI Key: InChIKey=RYCBSDWTFORSET-UIFIKXQLSA-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)) | BDBM50033405 (CHEMBL3357659) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of purified recombinant human BACE1 expressed in CHO cells assessed as uncleaved biotinylated sAPP after 2 hrs by HTRF assay | J Med Chem 57: 10112-29 (2014) Article DOI: 10.1021/jm5015132 BindingDB Entry DOI: 10.7270/Q2348N0T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50033405 (CHEMBL3357659) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of BACE1 in HEK293 cells expressing swedish double mutant APP assessed as amyloid beta (1 to 40) peptide level after 7 hrs by HTRF assay | J Med Chem 57: 10112-29 (2014) Article DOI: 10.1021/jm5015132 BindingDB Entry DOI: 10.7270/Q2348N0T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50033405 (CHEMBL3357659) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Curated by ChEMBL | Assay Description Inhibition of cathepsin D purified from human spleen after 1 hr by FRET assay | J Med Chem 57: 10112-29 (2014) Article DOI: 10.1021/jm5015132 BindingDB Entry DOI: 10.7270/Q2348N0T | |||||||||||
More data for this Ligand-Target Pair |