BDBM50125472 4-[2-carboxy-1-methylcarboxamido-(1S)-ethylcarboxamido]-4-[1-[1-[2-[(R)-1-((R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-3-butenylcarbamoyl]-(2S)-tetrahydro-1H-1-pyrrolylcarbonyl]-2-methyl-(1S)-propylcarbamoyl]-2-methyl-(1S)-propylcarbamoyl]butanoic acid::CHEMBL15789
SMILES: CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1
InChI Key: InChIKey=XVILIFGALUJEKY-KTSWWOKGSA-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) | BDBM50125472 (4-[2-carboxy-1-methylcarboxamido-(1S)-ethylcarboxa...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against HCV NS3 protease was determined | Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS | |||||||||||
More data for this Ligand-Target Pair |