BDBM420298 CVD-0006356::PF-00835231::PF-0835231::US11524940, Compound 741::US11753373, Compound A-5-d::WO2005113580-Ex-02::WO2021205298, Compound 1::cmdc.202100576, 6b

SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO

InChI Key InChIKey=QDIMHKWNHMVDJB-WBAXXEDZSA-N

Data  24 KI  22 IC50  2 EC50

PDB links: 15 PDB IDs match this monomer.

  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 48 hits for monomerid = 420298   

TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.0300nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
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In DepthDetails PubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.0300nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.0330nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.0340nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.100nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.120nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.270nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.270nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(PEDV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.300nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(PEDV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.300nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(HCoV-OC43)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.5nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(HCoV-OC43)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.510nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.740nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(HCoV-NL63)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.770nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(HCoV-NL63)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.800nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.800nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(HCoV-HKU1)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.850nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(HCoV-HKU1)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.900nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(MHV-A59)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  1.20nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(MHV-A59)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  1.20nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  1.5nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
Pfizer

WIPO
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  1.5nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(IBV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  4nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(IBV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  4nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  0.270nMAssay Description:Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 60 mins by FRET bas...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  0.650nMAssay Description:Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat. no. 784900) using an Echo 555 acoustic dispenser, and dimethyl sulfoxide ...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  2.94nMAssay Description:Mpro activity was measured according to the manufacturer's protocol (BPS Biosciences, cat #78042-2) in 384-well plates. The included recombinant un-t...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetCathepsin B(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of human Cathepsin B using Z-Leu-Arg-AMC as fluorogenic substrate incubated for 60 mins by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetProcathepsin L(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  146nMAssay Description:Inhibition of human Cathepsin L using Z-Leu-Arg-AMC as fluorogenic substrate incubated for 60 mins by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  5nMAssay Description:Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorescent substrate preincubated for 10 mins followed by substrate ad...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  1.70nMAssay Description:Inhibition of recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli using Ac-Abu-Tle-Leu-Gln-MCA as fluorogenic substrate preincuba...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Pardes Biosciences

US Patent
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50: <2.00E+3nMAssay Description:Compounds are assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-t...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Pfizer

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetCaspase-2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human Caspase 2More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human leukocyte elastaseMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  1.30E+3nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  146nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  5nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Experimental Drug Development Centre

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  4nMAssay Description:Please point to the patents.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataEC50:  231nMAssay Description:VeroE6 cells were sorted for ACE2 expression by flow cytometry to generate clonal VeroE6 cells that are enriched for ACE2 surface expression. The ACE...More data for this Ligand-Target Pair
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In DepthDetails
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Experimental Drug Development Centre

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  4nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Experimental Drug Development Centre

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  8nMAssay 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
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  19nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Experimental Drug Development Centre

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataIC50:  4nMAssay Description:The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Experimental Drug Development Centre

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataEC50:  5.10E+3nMAssay Description:Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB