BDBM649927 US20240043417, Example TABLE 1.17

SMILES CC(C)(C)[C@H](NC(=O)NCc1ccncc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc(cs1)-c1ccccc1)C2(C)C

InChI Key InChIKey=AXRPNDJCZFTJQN-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 649927   

TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM649927(US20240043417, Example TABLE 1.17)
Affinity DataIC50: 2.55E+3nMAssay Description:IC50 values were determined for compounds that inhibit SARS-CoV-2 3CLpro using our recently described assay (Hattori et al. Nat. Commun. 2021, 12, 66...More data for this Ligand-Target Pair
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Date in BDB:
4/12/2024
Entry Details
US Patent