BDBM50135740 2,3,4,5,6,7,14,15-octahydroxy-13-(5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-7-chromenyloxy)-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-9,17-dione::CHEMBL100881::CHEMBL3215349
SMILES: O[C@@H]1[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC[C@H]2O[C@H]1Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1
InChI Key: InChIKey=SHBQSNYBINOTIL-UHFFFAOYSA-N
Data: 2 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) | BDBM50135740 (2,3,4,5,6,7,14,15-octahydroxy-13-(5-hydroxy-4-oxo-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Inhibitory activity of the compound evaluated in the HCV NS3 protease activity assay | Bioorg Med Chem Lett 13: 2925-8 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human rhinovirus A protease (Human rhinovirus B) | BDBM50135740 (2,3,4,5,6,7,14,15-octahydroxy-13-(5-hydroxy-4-oxo-...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Inhibitory activity of the compound evaluated in the HCV protease binding assay | Bioorg Med Chem Lett 13: 2925-8 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C2D | |||||||||||
More data for this Ligand-Target Pair |