BDBM50037499 CHEMBL3356702
SMILES: COc1ccc2c(Oc3ccc(cc3)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc3ccccc3C(=O)NS(=O)(=O)c3ccccc3)cc(nc2c1)-c1ccccc1
InChI Key: InChIKey=CFDWQBMGMQRGRG-ACEXITHZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nonstructural protein NS3-4A (Hepatitis C virus) | BDBM50037499 (CHEMBL3356702) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay | Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50 | |||||||||||
More data for this Ligand-Target Pair |