BDBM552314 (13*S,21a*R,Z)-13-ethyl-24,25-difluoro-16-hydroxy-6,10,13,21a-tetrahydro-7,8-(epiprop[1]en[1]yl[3]ylidene)-14,21-methanobenzo[6,7]thiepino[4,5-c]pyrido[1,2-f][1]oxa[5,6,9]triazacyclotridecine-15,17-dione (Compound 126AA)::US11312727, Compound 126BB

SMILES CC[C@@H]1\C=C/COc2cc(F)c(F)c3CSc4ccccc4[C@@H](N4CN1C(=O)c1c(O)c(=O)ccn41)c23

InChI Key InChIKey=IFNWLQIUSGCMGE-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 552314   

TargetPolymerase basic protein 2(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
Janssen Biopharma

US Patent
LigandPNGBDBM552314(US11312727, Compound 126BB | (13*S,21a*R,Z)-13-eth...)
Affinity DataEC50:  1nMAssay Description:Human lung carcinoma A549 cells (ATCC, Manassas, Va.) were plated at a density of 5×104 cells/mL (10×103 cells/well) in assay media (Ham's F12 me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent

TargetPolymerase basic protein 2(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
Janssen Biopharma

US Patent
LigandPNGBDBM552314(US11312727, Compound 126BB | (13*S,21a*R,Z)-13-eth...)
Affinity DataIC50: 2.40nMAssay Description:EN PA FRET inhibition assay was performed using a 19 nucleotide synthetic oligoribonucleotide substrate: 5′-FAM-AUUUUGUUUUUAAUAUUUC-BHQ-3′...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent