BDBM35555 1H-benzo[de]isoquinoline-1,3(2H)-dione, 4
SMILES: OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
InChI Key: InChIKey=MIFATWFHPRFJPQ-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HCV NS5B Polymerase (Hepatitis C virus genotype 2b (isolate HC-J8) (HCV...) | BDBM35555 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 4) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-MRL Rome | Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi... | J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Non-structural protein 5B (NS5B) (Hepatitis C virus genotype 1b (isolate BK) (HCV)) | BDBM35555 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 4) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | 7.5 | 23 |
IRBM-MRL Rome | Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi... | J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4 | |||||||||||
More data for this Ligand-Target Pair |