BDBM50393892 CHEMBL2158253
SMILES: CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Oc2sc(CC(C)(C)C)cc12
InChI Key: InChIKey=YLIBYDKWVPKMKX-OCESARCHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Homo sapiens (Human)) | BDBM50393892 (CHEMBL2158253) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ... | Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM50393892 (CHEMBL2158253) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of BACE2 | Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50393892 (CHEMBL2158253) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of BACE1 in human HEK cells expressing APP Swedish mutant assessed as reduction in amyloid beta40 level by ELISA | Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50393892 (CHEMBL2158253) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) using Eu-EVNLDAEFK as substrate incubated for 30 mins prior to substrate addition m... | Bioorg Med Chem Lett 22: 6721-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.097 BindingDB Entry DOI: 10.7270/Q2MS3TVD | |||||||||||
More data for this Ligand-Target Pair |