BDBM35570 1H-benzo[de]isoquinoline-1,3(2H)-dione, 19
SMILES: Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCN(Cc5ccccc5)CC4)ccc(C1=O)c23
InChI Key: InChIKey=KGQNAINAEOIJHF-UHFFFAOYSA-N
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...) | BDBM35570 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 19) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 43 | 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)) | BDBM35570 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 19) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <14 | n/a | 2.20E+3 | 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 |