BDBM50592814 CHEMBL5180793::US20240043417, Example TABLE 1.10

SMILES [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C

InChI Key InChIKey=XHMGCCSDDIDVLY-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 50592814   

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

US Patent
LigandPNGBDBM50592814(CHEMBL5180793 | US20240043417, Example TABLE 1.10)
Affinity DataIC50: 7.50E+4nMAssay 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
In Depth
Date in BDB:
4/12/2024
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50592814(CHEMBL5180793 | US20240043417, Example TABLE 1.10)
Affinity DataEC50: >1.00E+5nMAssay Description:This patent does not specify.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2024
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50592814(CHEMBL5180793 | US20240043417, Example TABLE 1.10)
Affinity DataIC50: 40nMAssay Description:Inhibition of His/SUMO tagged SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM50592814(CHEMBL5180793 | US20240043417, Example TABLE 1.10)
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of eGFP fused SARS-CoV2 main protease transfected in HEK293T/17 cells incubated for 72 hrs by fluorescence based flow cytometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed