BDBM50271629 CHEMBL451950::N-((1S,2S)-1-((S)-1-benzyl-5-oxoimidazolidin-4-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide
SMILES: COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O
InChI Key: InChIKey=AZIDRLBRXVEARS-BHSUFKTOSA-N
Data: 2 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)) | BDBM50271629 (CHEMBL451950 | N-((1S,2S)-1-((S)-1-benzyl-5-oxoimi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Inhibition of BACE1 (unknown origin) | Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50271629 (CHEMBL451950 | N-((1S,2S)-1-((S)-1-benzyl-5-oxoimi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-... | Bioorg Med Chem Lett 18: 3236-41 (2008) Article DOI: 10.1016/j.bmcl.2008.04.050 BindingDB Entry DOI: 10.7270/Q2PZ58MR | |||||||||||
More data for this Ligand-Target Pair |