BDBM15790 3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5-methyl-5-[(2-methylpropyl)carbamoyl]pentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::CHEMBL42908::Hydroxyethylene-Based Peptidomimetic Inhibitor, 20::hydroxyethylene (HE) Inhibitor 1
SMILES: CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C
InChI Key: InChIKey=XVGVQHKKBOYQOC-MHWRTBLVSA-N
Data: 4 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)) | BDBM15790 (3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...) | 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 | 30 | n/a | n/a | n/a | n/a | 4.8 | 37 |
Elan Pharmaceuticals | Assay Description Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod... | J Med Chem 50: 776-81 (2007) Article DOI: 10.1021/jm061242y BindingDB Entry DOI: 10.7270/Q2K935TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM15790 (3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of BACE-1 (unknown origin) using MPBC125-fused APP as substrate incubated for 1 to 2 hrs by ELISA | Bioorg Med Chem Lett 29: 2535-2550 (2019) Article DOI: 10.1016/j.bmcl.2019.07.033 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM15790 (3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 by FRET assay | Bioorg Med Chem Lett 18: 1643-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.056 BindingDB Entry DOI: 10.7270/Q2J38S96 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM15790 (3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5...) | 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 | 30 | n/a | n/a | n/a | n/a | 4.8 | 37 |
Elan Pharmaceuticals | Assay Description Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod... | J Med Chem 47: 158-64 (2004) Article DOI: 10.1021/jm0304008 BindingDB Entry DOI: 10.7270/Q2G73BZ6 | |||||||||||
More data for this Ligand-Target Pair |