BDBM50397692 CHEMBL2181892
SMILES: COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
InChI Key: InChIKey=JVNKLECJDZSZDR-GMQQYTKMSA-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)) | BDBM50397692 (CHEMBL2181892) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production after overnight incubati... | J Med Chem 55: 9025-44 (2012) Article DOI: 10.1021/jm300118s BindingDB Entry DOI: 10.7270/Q298885R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50397692 (CHEMBL2181892) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by HPLC-MS analysis | J Med Chem 55: 9025-44 (2012) Article DOI: 10.1021/jm300118s BindingDB Entry DOI: 10.7270/Q298885R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50397692 (CHEMBL2181892) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a... | J Med Chem 55: 9025-44 (2012) Article DOI: 10.1021/jm300118s BindingDB Entry DOI: 10.7270/Q298885R | |||||||||||
More data for this Ligand-Target Pair |