BDBM420297 acs.jmedchem.1c00409_ST.30::med.21724, Compound 62::peptidomimetic aldehydes 11b::peptidomimetic coronavirus 3CLpro inhibitors 11b

SMILES Fc1cccc(C[C@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1

InChI Key InChIKey=HCRBVFBQANEDDM-CUWPLCDZSA-N

Data  8 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 420297   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataIC50:  40nMAssay Description:Recombinant SARS-CoV-2 Mpro was expressed and purified from Escherichia coli (E. coli) (18, 25). A fluorescently labeled substrate, MCA-AVLQ SGFR-Lys...More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataIC50:  40nMAssay Description:This is a review article.More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataEC50:  330nMAssay Description:This is a review article.More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataIC50:  23nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataIC50:  40nMAssay Description:Inhibition of SARS-CoV2 main proteaseMore data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataEC50:  720nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataIC50:  40nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataIC50:  40nMAssay Description:Inhibition of N-terminal recombinant SARS CoV 2 3CL protease expressed in Escherichia coli BL21-DE3 cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as subs...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataIC50:  858nMAssay Description:Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells assessed as change in relative fluorescence unit using MCA-TSAVL...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute Of Materia Medica

LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
Affinity DataIC50:  40nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB