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PubMed code 35344983

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032698
PNG
(CHEMBL3354676 | N-0130)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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PubMed
0.130n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032698
PNG
(CHEMBL3354676 | N-0130)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM525153
PNG
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H36N8O5S/c1-17(38)34-21(13-14-24(30)39)26(41)36-22(16-18-8-3-2-4-9-18)27(42)35-20(11-7-15-33-29(31)32)25(40)28-37-19-10-5-6-12-23(19)43-28/h2-6,8-10,12,20-22H,7,11,13-16H2,1H3,(H2,30,39)(H,34,38)(H,35,42)(H,36,41)(H4,31,32,33)/t20-,21-,22-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM525256
PNG
((H)Arg-Glu-Phe-Arg-kbt | N-0438)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N11O6S/c34-20(10-6-16-39-32(35)36)28(48)42-23(14-15-26(45)46)29(49)43-24(18-19-8-2-1-3-9-19)30(50)41-22(12-7-17-40-33(37)38)27(47)31-44-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H,41,50)(H,42,48)(H,43,49)(H,45,46)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM525152
PNG
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM525153
PNG
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H36N8O5S/c1-17(38)34-21(13-14-24(30)39)26(41)36-22(16-18-8-3-2-4-9-18)27(42)35-20(11-7-15-33-29(31)32)25(40)28-37-19-10-5-6-12-23(19)43-28/h2-6,8-10,12,20-22H,7,11,13-16H2,1H3,(H2,30,39)(H,34,38)(H,35,42)(H,36,41)(H4,31,32,33)/t20-,21-,22-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM525256
PNG
((H)Arg-Glu-Phe-Arg-kbt | N-0438)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N11O6S/c34-20(10-6-16-39-32(35)36)28(48)42-23(14-15-26(45)46)29(49)43-24(18-19-8-2-1-3-9-19)30(50)41-22(12-7-17-40-33(37)38)27(47)31-44-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H,41,50)(H,42,48)(H,43,49)(H,45,46)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-/m0/s1
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1.11n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM525152
PNG
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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4.20n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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5.60n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 11E


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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5.80n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 11E


(Homo sapiens (Human))
BDBM525153
PNG
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H36N8O5S/c1-17(38)34-21(13-14-24(30)39)26(41)36-22(16-18-8-3-2-4-9-18)27(42)35-20(11-7-15-33-29(31)32)25(40)28-37-19-10-5-6-12-23(19)43-28/h2-6,8-10,12,20-22H,7,11,13-16H2,1H3,(H2,30,39)(H,34,38)(H,35,42)(H,36,41)(H4,31,32,33)/t20-,21-,22-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 11E


(Homo sapiens (Human))
BDBM525152
PNG
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 11E


(Homo sapiens (Human))
BDBM50032698
PNG
(CHEMBL3354676 | N-0130)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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28n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 11E


(Homo sapiens (Human))
BDBM525256
PNG
((H)Arg-Glu-Phe-Arg-kbt | N-0438)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N11O6S/c34-20(10-6-16-39-32(35)36)28(48)42-23(14-15-26(45)46)29(49)43-24(18-19-8-2-1-3-9-19)30(50)41-22(12-7-17-40-33(37)38)27(47)31-44-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H,41,50)(H,42,48)(H,43,49)(H,45,46)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-/m0/s1
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31n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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PubMed
621n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM525153
PNG
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H36N8O5S/c1-17(38)34-21(13-14-24(30)39)26(41)36-22(16-18-8-3-2-4-9-18)27(42)35-20(11-7-15-33-29(31)32)25(40)28-37-19-10-5-6-12-23(19)43-28/h2-6,8-10,12,20-22H,7,11,13-16H2,1H3,(H2,30,39)(H,34,38)(H,35,42)(H,36,41)(H4,31,32,33)/t20-,21-,22-/m0/s1
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6.29E+3n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM525256
PNG
((H)Arg-Glu-Phe-Arg-kbt | N-0438)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N11O6S/c34-20(10-6-16-39-32(35)36)28(48)42-23(14-15-26(45)46)29(49)43-24(18-19-8-2-1-3-9-19)30(50)41-22(12-7-17-40-33(37)38)27(47)31-44-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H,41,50)(H,42,48)(H,43,49)(H,45,46)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-/m0/s1
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7.72E+3n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50032698
PNG
(CHEMBL3354676 | N-0130)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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8.23E+3n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM525152
PNG
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1
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9.27E+3n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM525153
PNG
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H36N8O5S/c1-17(38)34-21(13-14-24(30)39)26(41)36-22(16-18-8-3-2-4-9-18)27(42)35-20(11-7-15-33-29(31)32)25(40)28-37-19-10-5-6-12-23(19)43-28/h2-6,8-10,12,20-22H,7,11,13-16H2,1H3,(H2,30,39)(H,34,38)(H,35,42)(H,36,41)(H4,31,32,33)/t20-,21-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM525256
PNG
((H)Arg-Glu-Phe-Arg-kbt | N-0438)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N11O6S/c34-20(10-6-16-39-32(35)36)28(48)42-23(14-15-26(45)46)29(49)43-24(18-19-8-2-1-3-9-19)30(50)41-22(12-7-17-40-33(37)38)27(47)31-44-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H,41,50)(H,42,48)(H,43,49)(H,45,46)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM525256
PNG
((H)Arg-Glu-Phe-Arg-kbt | N-0438)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N11O6S/c34-20(10-6-16-39-32(35)36)28(48)42-23(14-15-26(45)46)29(49)43-24(18-19-8-2-1-3-9-19)30(50)41-22(12-7-17-40-33(37)38)27(47)31-44-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H,41,50)(H,42,48)(H,43,49)(H,45,46)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM525153
PNG
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H36N8O5S/c1-17(38)34-21(13-14-24(30)39)26(41)36-22(16-18-8-3-2-4-9-18)27(42)35-20(11-7-15-33-29(31)32)25(40)28-37-19-10-5-6-12-23(19)43-28/h2-6,8-10,12,20-22H,7,11,13-16H2,1H3,(H2,30,39)(H,34,38)(H,35,42)(H,36,41)(H4,31,32,33)/t20-,21-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50032698
PNG
(CHEMBL3354676 | N-0130)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM525152
PNG
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50032698
PNG
(CHEMBL3354676 | N-0130)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM525152
PNG
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM525152
PNG
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50032698
PNG
(CHEMBL3354676 | N-0130)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM525153
PNG
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H36N8O5S/c1-17(38)34-21(13-14-24(30)39)26(41)36-22(16-18-8-3-2-4-9-18)27(42)35-20(11-7-15-33-29(31)32)25(40)28-37-19-10-5-6-12-23(19)43-28/h2-6,8-10,12,20-22H,7,11,13-16H2,1H3,(H2,30,39)(H,34,38)(H,35,42)(H,36,41)(H4,31,32,33)/t20-,21-,22-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM525256
PNG
((H)Arg-Glu-Phe-Arg-kbt | N-0438)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N11O6S/c34-20(10-6-16-39-32(35)36)28(48)42-23(14-15-26(45)46)29(49)43-24(18-19-8-2-1-3-9-19)30(50)41-22(12-7-17-40-33(37)38)27(47)31-44-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H,41,50)(H,42,48)(H,43,49)(H,45,46)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 18n/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM525259
PNG
(Ms-Gln-Phe-Arg-kbt(OH) | N-0385(OH))
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H38N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,24,36,38H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20+,21-,24?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia



Assay Description
Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...


Nature (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50032698
PNG
(CHEMBL3354676 | N-0130)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



University of British Columbia



Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se...


Nature (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM525256
PNG
((H)Arg-Glu-Phe-Arg-kbt | N-0438)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N11O6S/c34-20(10-6-16-39-32(35)36)28(48)42-23(14-15-26(45)46)29(49)43-24(18-19-8-2-1-3-9-19)30(50)41-22(12-7-17-40-33(37)38)27(47)31-44-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H,41,50)(H,42,48)(H,43,49)(H,45,46)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



University of British Columbia



Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se...


Nature (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/an/an/a 11n/an/an/an/a



University of British Columbia



Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se...


Nature (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM525152
PNG
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



University of British Columbia



Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se...


Nature (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM525153
PNG
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H36N8O5S/c1-17(38)34-21(13-14-24(30)39)26(41)36-22(16-18-8-3-2-4-9-18)27(42)35-20(11-7-15-33-29(31)32)25(40)28-37-19-10-5-6-12-23(19)43-28/h2-6,8-10,12,20-22H,7,11,13-16H2,1H3,(H2,30,39)(H,34,38)(H,35,42)(H,36,41)(H4,31,32,33)/t20-,21-,22-/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



University of British Columbia



Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se...


Nature (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM525259
PNG
(Ms-Gln-Phe-Arg-kbt(OH) | N-0385(OH))
Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H38N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,24,36,38H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20+,21-,24?/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of British Columbia



Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se...


Nature (2022)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%