BDBM513874 bioRxiv20220126.477782, S-217622::bioRxiv20220126.477782, Screening Hit 2

SMILES Cn1cnc(Cn2c(=O)[nH]\c(=N/c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1

InChI Key InChIKey=QMPBBNUOBOFBFS-UHFFFAOYSA-N

Data  12 IC50  6 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 513874   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails PubMed