BDBM420313 Vitamin B12

SMILES CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1C(C)=C1N=C(C=C3N=C(C(C)=C4[N-]C2(C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)n1cnc2cc(C)c(C)cc12

InChI Key InChIKey=RHYVGCKRBKDRDX-UHFFFAOYSA-L

Data  1 IC50

  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 = 420313   

TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandPNGBDBM420313(Vitamin B12)
Affinity DataIC50:  1.80E+4nMAssay Description:The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...More data for this Ligand-Target Pair
Ligand InfoPurchase
In DepthDetails ArticlePubMed