BDBM11241 (2S)-N,N'-bis[(1S)-1-[(2-chloro-4-nitrophenyl)carbamoyl]-2-phenylethyl]-2-hydroxybutanediamide::Anilide Inhibitor 5b::Bis-anilide
SMILES: O[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
InChI Key: InChIKey=FCKXGFANXSHGAW-DTXPUJKBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11241 ((2S)-N,N'-bis[(1S)-1-[(2-chloro-4-nitrophenyl)carb...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.10E+3 | -7.51 | 4.00E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Taiwan University | Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t... | J Med Chem 48: 4469-73 (2005) Article DOI: 10.1021/jm050184y BindingDB Entry DOI: 10.7270/Q20K26S1 | |||||||||||
More data for this Ligand-Target Pair |