BDBM50158793 4-(2-{(S)-2-[(S)-2-((S)-4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-butyrylamino}-ethyl)-3-chloro-benzoic acid::CHEMBL178982
SMILES: CC(C)COC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O
InChI Key: InChIKey=YXLKUMXBZZUGHU-FKBYEOEOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50158793 (4-(2-{(S)-2-[(S)-2-((S)-4-Carboxy-2-isobutoxycarbo...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | MMDB Article PubMed | 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong Curated by ChEMBL | Assay Description Inhibitory constant against hepatitis C virus NS3 protease | J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1 | |||||||||||
More data for this Ligand-Target Pair |