BDBM50141612 (S)-4-[(S)-2-(2-Amino-2-methyl-butyrylamino)-3-methyl-butyrylamino]-3-hydroxy-6-(S)-methyl-heptanoic acid {2-[3-((S)-acetyl)-indol-1-yl]-1-methyl-2-oxo-ethyl}-amide::CHEMBL171865
SMILES: CCC(C)(N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)n1cc(C(C)=O)c2ccccc12
InChI Key: InChIKey=CKQFBCFRBCDEST-FOKKSMFWSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM50141612 ((S)-4-[(S)-2-(2-Amino-2-methyl-butyrylamino)-3-met...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie Curated by ChEMBL | Assay Description Inhibitory activity of the compound against aspartyl protease pepsin | Bioorg Med Chem Lett 14: 855-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.030 BindingDB Entry DOI: 10.7270/Q26H4GV5 | |||||||||||
More data for this Ligand-Target Pair |