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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'Transmembrane protease serine 2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50606675
PNG
(CHEMBL3219079)
Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1Cl |r|
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0.900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116389
BindingDB Entry DOI: 10.7270/Q2GF0ZM3
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50606676
PNG
(CHEMBL3219087)
Show SMILES COc1ccc(c(OC)c1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r|
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116389
BindingDB Entry DOI: 10.7270/Q2GF0ZM3
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50606674
PNG
(CHEMBL3219103)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)cc2Cl)C(=O)N2CCC(CC2)NC(=O)NC2CCCCC2)c1 |r|
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116389
BindingDB Entry DOI: 10.7270/Q2GF0ZM3
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50606673
PNG
(CHEMBL3219100)
Show SMILES CNC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(OC)cc1OC |r|
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116389
BindingDB Entry DOI: 10.7270/Q2GF0ZM3
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50606672
PNG
(CHEMBL3219101)
Show SMILES CNC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1Cl |r|
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116389
BindingDB Entry DOI: 10.7270/Q2GF0ZM3
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50606671
PNG
(CHEMBL3219102)
Show SMILES COc1ccc(c(OC)c1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)NC(=O)NC1CCCCC1 |r|
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116389
BindingDB Entry DOI: 10.7270/Q2GF0ZM3
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50324475
PNG
(Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...)
Show SMILES NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C26H36N8O4S/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31)/t21-,22+/m1/s1
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20n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescenc...


Bioorg Med Chem Lett 21: 4860-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.033
BindingDB Entry DOI: 10.7270/Q2ST7Q5M
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50349344
PNG
(CHEMBL1809250)
Show SMILES [#6]-[#6]-[#6](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C24H35N7O3S/c1-2-20(30-15-17-10-12-19(13-11-17)23(25)26)22(32)21(9-6-14-29-24(27)28)31-35(33,34)16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20-21,30-31H,2,6,9,14-16H2,1H3,(H3,25,26)(H4,27,28,29)/t20?,21-/m1/s1
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53n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescenc...


Bioorg Med Chem Lett 21: 4860-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.033
BindingDB Entry DOI: 10.7270/Q2ST7Q5M
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50349345
PNG
(CHEMBL1809251)
Show SMILES [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C25H37N7O3S/c1-2-7-21(31-16-18-11-13-20(14-12-18)24(26)27)23(33)22(10-6-15-30-25(28)29)32-36(34,35)17-19-8-4-3-5-9-19/h3-5,8-9,11-14,21-22,31-32H,2,6-7,10,15-17H2,1H3,(H3,26,27)(H4,28,29,30)/t21-,22+/m0/s1
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68n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescenc...


Bioorg Med Chem Lett 21: 4860-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.033
BindingDB Entry DOI: 10.7270/Q2ST7Q5M
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 |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4
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 |r|
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


TBA

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...


Citation and Details

Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4
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 |r|
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n/an/a 3.90n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4
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 |r|
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n/an/a 5.20n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])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


TBA

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...


Citation and Details

Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50239965
PNG
(Bromhexine | CHEBI:77032)
Show SMILES CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
Show InChI InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3
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n/an/a 750n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


Article DOI: 10.1158/2159-8290.CD-13-1010
BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM420291
PNG
(0591-5329 | 4-(Methoxycarbonyl)phenyl thiophene-2-...)
Show SMILES COC(=O)c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C13H10O4S/c1-16-12(14)9-4-6-10(7-5-9)17-13(15)11-3-2-8-18-11/h2-8H,1H3
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n/an/a 930n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


Article DOI: 10.1158/2159-8290.CD-13-1010
BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50022172
PNG
((7-Hydroxy-2-oxo-2H-chromen-4-yl)-acetic acid meth...)
Show SMILES COC(=O)Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C12H10O5/c1-16-11(14)4-7-5-12(15)17-10-6-8(13)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
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n/an/a 1.37E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


Article DOI: 10.1158/2159-8290.CD-13-1010
BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM420294
PNG
(8008-1235 | N-[4-(4-chlorophenyl)-3-ethyl-1,3-thia...)
Show SMILES CCn1c(csc1=Nc1ccccc1)-c1ccc(Cl)cc1 |w:7.8|
Show InChI InChI=1S/C17H15ClN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17+
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n/an/a 2.64E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


Article DOI: 10.1158/2159-8290.CD-13-1010
BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM420292
PNG
(4401-0077 | Antidepressant agent 1)
Show SMILES CCN1CCn2c3C1CCCc3c1cc(Br)ccc21
Show InChI InChI=1S/C16H19BrN2/c1-2-18-8-9-19-14-7-6-11(17)10-13(14)12-4-3-5-15(18)16(12)19/h6-7,10,15H,2-5,8-9H2,1H3
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n/an/a 2.68E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


Article DOI: 10.1158/2159-8290.CD-13-1010
BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
CHEMBL5285196
PNG
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
CHEMBL5266850
PNG
PDB

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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
CHEMBL5270157
PNG
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
CHEMBL5271456
PNG
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50368092
PNG
(GNF-PF-3839 | PROPAMIDINE CHLORIDE)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
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 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

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...


Citation and Details

Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
CHEMBL5287275
PNG
PDB

KEGG

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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
CHEMBL5275059
PNG
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
CHEMBL5275526
PNG
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
CHEMBL5270536
PNG
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50122613
PNG
(3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...)
Show SMILES NC(=N)N1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
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n/an/a 2.30E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50122613
PNG
(3,4-dihydroisoquinoline-2(1H)-carboximidamide | CH...)
Show SMILES NC(=N)N1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
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n/an/a 7.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM533518
PNG
(jm2c00120, Compound 17)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(Br)c(c1)[N+]([O-])=O
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n/an/an/an/a 8.40E+4n/an/an/an/a


TBA

Assay Description
Ec50 of SARS-CoV-infected VeroE6 cells.


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00120
BindingDB Entry DOI: 10.7270/Q21839PH
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])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 1.00E+4n/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM513873
PNG
(bioRxiv20220126.477782, Screening Hit 2)
Show SMILES CNC(=O)Cn1c(=O)[nH]\c(=N/c2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)c(F)c2)c1=O
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n/an/an/an/a 1.25E+4n/an/an/an/a


TBA

Assay 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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MFK
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM513874
PNG
(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Show SMILES Cn1cnc(Cn2c(=O)[nH]\c(=N/c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1
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n/an/an/an/a 370n/an/an/an/a


TBA

Assay 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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MFK
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50424712
PNG
(CAMOSTAT | Camostat Mesilate | Foipan)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])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 1.00E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human TMPRSS2-mediated SARS-CoV-2 entry into human Caco-2 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00626
BindingDB Entry DOI: 10.7270/Q2K35ZBW
More data for this
Ligand-Target Pair