BDBM16680 Mixture of trans methyl(cyclopropylmethyl)diastereomers.::N-[(2S,3S)-3-amino-1-(thiophen-3-yl)heptan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide::isonicotinamide, 19
SMILES: CCCC[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O
InChI Key: InChIKey=MSSOOXCWRUWADA-CZGNIMDHSA-N
Data: 1 IC50
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM16680 (Mixture of trans methyl(cyclopropylmethyl)diastere...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | 37 |
Merck Research Laboratories | Assay Description HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or... | Bioorg Med Chem Lett 17: 1788-92 (2007) Article DOI: 10.1016/j.bmcl.2006.12.051 BindingDB Entry DOI: 10.7270/Q2CF9NCQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |