BDBM50125489 (6S,8R)-1-Chloro-8-(4-methoxy-benzyl)-4-oxo-3-(3-trifluoromethyl-benzylamino)-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(R)-1-((R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-but-3-enyl]-amide::CHEMBL15861
SMILES: COc1ccc(C[C@@H]2C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n3c2c(Cl)nc(NCc2cccc(c2)C(F)(F)F)c3=O)cc1
InChI Key: InChIKey=NUDRCFFRFVAZHB-DTDIWWSVSA-N
Data: 1 IC50
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) | BDBM50125489 ((6S,8R)-1-Chloro-8-(4-methoxy-benzyl)-4-oxo-3-(3-t...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibitory concentration against HCV NS3 protease. | Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS | |||||||||||
More data for this Ligand-Target Pair |