BDBM50452518 CHEMBL4204453
SMILES: COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C
InChI Key: InChIKey=PMPJBRQKPSKWGJ-JLOFFHGFSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genome polyprotein (Hepatitis C virus) | BDBM50452518![]() (CHEMBL4204453) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif... | Bioorg Med Chem Lett 28: 43-48 (2018) Article DOI: 10.1016/j.bmcl.2017.11.005 BindingDB Entry DOI: 10.7270/Q2KP84RB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM50452518![]() (CHEMBL4204453) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci... | Bioorg Med Chem Lett 28: 43-48 (2018) Article DOI: 10.1016/j.bmcl.2017.11.005 BindingDB Entry DOI: 10.7270/Q2KP84RB | |||||||||||
More data for this Ligand-Target Pair |