BDBM39390 1-(2-furoyl)-4-(thien-2-ylcarbonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine::2-furanyl-[4-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methanone::2-furyl-[4-(2-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methanone::MLS000047232::SMR000033243::cid_3237169::furan-2-yl-(4-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methanone::furan-2-yl-[4-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methanone
SMILES: O=C(N1CCN(Cc2ccccc12)C(=O)c1cccs1)c1ccco1
InChI Key: InChIKey=HUJUGQUEMANNHL-UHFFFAOYSA-N
Data: 1 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 |
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Genome polyprotein (West Nile virus) | BDBM39390 (1-(2-furoyl)-4-(thien-2-ylcarbonyl)-2,3,4,5-tetrah...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W | |||||||||||
More data for this Ligand-Target Pair |