Compile Data Set for Download or QSAR
maximum 50k data
Report error Found 53 with Last Name = 'toba' and Initial = 's'
TargetStromelysin-1(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50076341((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)
Affinity DataKi:  18nMAssay Description:Inhibition of human stromelysin-1 (MMP-3)More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591389(CHEMBL5179778)
Affinity DataKi:  56nMAssay Description:Irreversible inhibition of recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli using Ac-Abu-Tle-Leu-Gln-MCA as fluorogenic substr...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591390(CHEMBL5190754)
Affinity DataKi:  224nMAssay Description:Irreversible inhibition of recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli using Ac-Abu-Tle-Leu-Gln-MCA as fluorogenic substr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetStromelysin-1(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50241372((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)
Affinity DataKi:  710nMAssay Description:Inhibition of human stromelysin-1 (MMP-3)More data for this Ligand-Target Pair
TargetStromelysin-1(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50076370((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...)
Affinity DataKi:  2.30E+3nMAssay Description:Inhibition of human stromelysin-1 (MMP-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50241372((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50076341((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50076343((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Affinity DataKi:  3.30E+3nMAssay Description:Inhibition of human stromelysin-1 (MMP-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50241377((S)-1-(3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)...)
Affinity DataKi:  3.10E+4nMAssay Description:Inhibition of human stromelysin-1 (MMP-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50241371(1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50241371(1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...)
Affinity DataKi:  1.66E+5nMAssay Description:Inhibition of human stromelysin-1 (MMP-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50076343((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Affinity DataKi: >2.00E+5nMAssay Description:Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50241377((S)-1-(3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)...)
Affinity DataKi: >2.00E+5nMAssay Description:Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50076370((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...)
Affinity DataKi:  2.26E+5nMAssay Description:Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM496902(CVD-0018409 | PF-07321332 | US11351149, Example 13...)
Affinity DataIC50:  0.790nMAssay 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
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
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
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591389(CHEMBL5179778)
Affinity DataIC50:  3.80nMAssay 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
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591391(CHEMBL5179611)
Affinity DataIC50:  4.80nMAssay 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 InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591388(CHEMBL5198073)
Affinity DataIC50:  9.5nMAssay 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 InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50:  13nMAssay Description:Inhibition of N-terminal 10-His-tagged SARS-CoV-2 3CL protease (1 to 306 residues) expressed in Escherichia coli BL21(DE3) using Dabcyl-KTSAVLQSGFRKM...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50:  13nMAssay Description:The 3CL protease inhibition assay was conducted in 384-well plates (Corning 3702). The substance solution (10 mM dimethyl sulfoxide [DMSO] solution) ...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591392(CHEMBL5195394)
Affinity DataIC50:  16nMAssay 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 InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591390(CHEMBL5190754)
Affinity DataIC50:  28nMAssay 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 InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin B(Human)
University of California San Francisco

LigandPNGBDBM36812(CA-074)
Affinity DataIC50:  40nMpH: 5.5 T: 25°CAssay Description:Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Human)
University of California San Francisco

LigandPNGBDBM36813(CA-074b)
Affinity DataIC50:  60nMpH: 5.5 T: 25°CAssay Description:Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM513873(bioRxiv20220126.477782, Screening Hit 2)
Affinity DataIC50:  96nMAssay Description:Inhibition of N-terminal 10-His-tagged SARS-CoV-2 3CL protease (1 to 306 residues) expressed in Escherichia coli BL21(DE3) using Dabcyl-KTSAVLQSGFRKM...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM513873(bioRxiv20220126.477782, Screening Hit 2)
Affinity DataIC50:  96nMAssay Description:The 3CL protease inhibition assay was conducted in 384-well plates (Corning 3702). The substance solution (10 mM dimethyl sulfoxide [DMSO] solution) ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591394(CHEMBL5172924)
Affinity DataIC50:  332nMAssay 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 InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin B(Human)
University of California San Francisco

LigandPNGBDBM36814(MB-074)
Affinity DataIC50:  400nMpH: 5.5 T: 25°CAssay Description:Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591393(CHEMBL5197241)
Affinity DataIC50:  464nMAssay 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 InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM513872(bioRxiv20220126.477782, Screening Hit 1)
Affinity DataIC50:  8.60E+3nMAssay Description:Inhibition of N-terminal 10-His-tagged SARS-CoV-2 3CL protease (1 to 306 residues) expressed in Escherichia coli BL21(DE3) using Dabcyl-KTSAVLQSGFRKM...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM513872(bioRxiv20220126.477782, Screening Hit 1)
Affinity DataIC50:  8.60E+3nMAssay Description:The 3CL protease inhibition assay was conducted in 384-well plates (Corning 3702). The substance solution (10 mM dimethyl sulfoxide [DMSO] solution) ...More data for this Ligand-Target Pair
In DepthDetails
TargetProcathepsin L [114-333,T223A](Human)
University of California San Francisco

LigandPNGBDBM36813(CA-074b)
Affinity DataIC50: >1.00E+4nMpH: 5.5 T: 25°CAssay Description:Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L [114-333,T223A](Human)
University of California San Francisco

LigandPNGBDBM36814(MB-074)
Affinity DataIC50: >1.00E+4nMpH: 5.5 T: 25°CAssay Description:Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetProcathepsin L [114-333,T223A](Human)
University of California San Francisco

LigandPNGBDBM36812(CA-074)
Affinity DataIC50: >1.00E+4nMpH: 5.5 T: 25°CAssay Description:Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Human)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591389(CHEMBL5179778)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of C-terminal His-tagged recombinant Human cathepsin L (18 to 333 residues) expressed in FreeStyle 293-F cells using Z-Leu-Arg-MCA peptide...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCathepsin B(Human)
University of California San Francisco

LigandPNGBDBM50591389(CHEMBL5179778)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of C-terminal His-tagged Human cathepsin B expressed in FreeStyle 293-F cells using Z-Leu-Arg-MCA peptide as fluorogenic substrate preincu...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCathepsin S(Human)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50591389(CHEMBL5179778)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of C-terminal His-tagged recombinant Human cathepsin S (17 to 331 residues) expressed in FreeStyle 293-F cells using Z-Leu-Arg-MCA peptide...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProthrombin(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human plasma thrombin using Z-Gly-Pro-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProcathepsin L(Human)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human liver cathepsin L using Z-Phe-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCathepsin G(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human neutrophil cathepsin G using Suc-Ala-Ala-Pro-Phe-AMC as substrate preincubated for 15 mins followed by addition of substrate meas...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCathepsin D(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human liver cathepsin D using MOCAc-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins follow...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCathepsin B(Human)
University of California San Francisco

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human liver cathepsin B using Boc-Leu-Arg-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 3...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetChymotrypsinogen B2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human pancreas chymotrypsin using Suc-Ala-Ala-Pro-Phe-AMC as substrate preincubated for 15 mins incubated followed by addition of subst...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCaspase-2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant caspase 2 expressed in Escherichia coli using Z-VDVAD-AFC as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTransmembrane protease serine 2(Human)
Shionogi

LigandPNGBDBM513873(bioRxiv20220126.477782, Screening Hit 2)
Affinity DataEC50:  1.25E+4nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetTransmembrane protease serine 2(Human)
Shionogi

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  370nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  370nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(SARS-CoV)
Shionogi

LigandPNGBDBM513874(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Affinity DataEC50:  210nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair
In DepthDetails
Displayed 1 to 50 (of 53 total ) | Next | Last >>
Jump to: