BDBM50271864 CHEMBL476216::N1-((1S,2S)-1-((R)-4-(2-chlorobenzyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide
SMILES: CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2Cl)CCN1
InChI Key: InChIKey=SMSFWZXSHBFRDJ-DSPMFFIESA-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)) | BDBM50271864 (CHEMBL476216 | N1-((1S,2S)-1-((R)-4-(2-chlorobenzy...) | 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 | 755 | 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 | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50271864 (CHEMBL476216 | N1-((1S,2S)-1-((R)-4-(2-chlorobenzy...) | 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 | 27 | 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 |