BDBM50398877 CHEMBL2178186
SMILES: COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CCSC)c(Cl)c1
InChI Key: InChIKey=QETXERJRYHVIOE-UHFFFAOYSA-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)) | BDBM50398877 (CHEMBL2178186) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research Curated by ChEMBL | Assay Description Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells | J Med Chem 55: 9208-23 (2012) Article DOI: 10.1021/jm300931y BindingDB Entry DOI: 10.7270/Q20G3M8M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50398877 (CHEMBL2178186) | 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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research Curated by ChEMBL | Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP 695 Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production after overnig... | J Med Chem 55: 9208-23 (2012) Article DOI: 10.1021/jm300931y BindingDB Entry DOI: 10.7270/Q20G3M8M | |||||||||||
More data for this Ligand-Target Pair |