BDBM16292 3-N-[(2S,3S,5R)-3-amino-5-[(4-fluorophenyl)carbamoyl]-5-methyl-1-phenylpentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::Aminoethylene (AE) compound 7::N -{(1S,2S,4R)-2-amino-1-benzyl-5-[(4-fluorophenyl)amino]-4-methyl-5-oxopentyl}-N,N-dipropylbenzene-1,3-dicarboxamide
SMILES: CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)C[C@@H](C)C(=O)Nc1ccc(F)cc1
InChI Key: InChIKey=PZHFCAIXAVDQAK-STQWGSIPSA-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 |
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beta-Secretase (BACE-1) (Homo sapiens (Human)) | BDBM16292 (3-N-[(2S,3S,5R)-3-amino-5-[(4-fluorophenyl)carbamo...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 26 | -10.2 | n/a | n/a | n/a | n/a | n/a | 4.5 | 22 |
Sunesis | Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ... | J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |