BDBM552316 (1a*S,11b*S,20a*S)-22,23-difluoro-17-hydroxy-1a,2,6,11b,20,20a-hexahydro-1H-5,4-(epiprop[1]en[1]yl[3]ylidene)-12,19-methanobenzo[6,7]thiepino[4,5-c]cyclopropa[k]pyrido[1,2-f][1]oxa[5,6,9]triazacyclotridecine-16,18-dione (Compound 127AA)::US11312727, Compound 127BA

SMILES Oc1c2C(=O)N3CN([C@@H]4c5ccccc5SCc5c(F)c(F)cc(OC[C@H]6C[C@@H]6C3)c45)n2ccc1=O

InChI Key InChIKey=QLVIKVLOPNMQNW-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 552316   

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

US Patent
LigandPNGBDBM552316(US11312727, Compound 127BA | (1a*S,11b*S,20a*S)-22...)
Affinity DataEC50:  1.40nMAssay 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
LigandPNGBDBM552316(US11312727, Compound 127BA | (1a*S,11b*S,20a*S)-22...)
Affinity DataIC50: 6nMAssay 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