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Compile Data Set for Download or QSAR

Found 149 hits Enz. Inhib. hit(s) with Target = 'Matriptase'   
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
Matriptase


(Homo sapiens (Human))
BDBM236490
PNG
(US9365853, 1)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15+,17-,18-/m0/s1
PDB

GoogleScholar
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PC sid
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US Patent
0.0110 -62.5n/an/an/an/an/a7.425



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


US Patent US9365853 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C6F
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM236493
PNG
(US9365853, 4)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1
PDB

GoogleScholar
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PC sid
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US Patent
0.0880 -57.4n/an/an/an/an/a7.425



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


US Patent US9365853 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C6F
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236918
PNG
(CHEMBL4081543)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H40N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032697
PNG
(CHEMBL3354675)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N12O6S/c34-20(5-3-15-40-32(36)37)28(49)43-23(13-14-26(35)47)29(50)44-24(17-18-9-11-19(46)12-10-18)30(51)42-22(7-4-16-41-33(38)39)27(48)31-45-21-6-1-2-8-25(21)52-31/h1-2,6,8-12,20,22-24,46H,3-5,7,13-17,34H2,(H2,35,47)(H,42,51)(H,43,49)(H,44,50)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032706
PNG
(CHEMBL3354683)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H41N9O5S2/c37-24(17-21-18-41-25-7-2-1-6-23(21)25)32(48)44-29(19-51)34(50)43-28(16-20-11-13-22(46)14-12-20)33(49)42-27(9-5-15-40-36(38)39)31(47)35-45-26-8-3-4-10-30(26)52-35/h1-4,6-8,10-14,18,24,27-29,41,46,51H,5,9,15-17,19,37H2,(H,42,49)(H,43,50)(H,44,48)(H4,38,39,40)/t24-,27-,28-,29-/m0/s1
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1n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236924
PNG
(CHEMBL4093487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C40H44N8O7S/c41-29(20-23-7-13-26(49)14-8-23)36(53)46-32(21-24-9-15-27(50)16-10-24)38(55)47-33(22-25-11-17-28(51)18-12-25)37(54)45-31(5-3-19-44-40(42)43)35(52)39-48-30-4-1-2-6-34(30)56-39/h1-2,4,6-18,29,31-33,49-51H,3,5,19-22,41H2,(H,45,54)(H,46,53)(H,47,55)(H4,42,43,44)/t29-,31-,32-,33-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha-L-Fucosidase of human placenta


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236911
PNG
(CHEMBL4103740)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O6S/c1-21(2)31(34(49)41-27(7-5-19-39-36(37)38)32(47)35-42-26-6-3-4-8-29(26)50-35)43-33(48)28(20-23-11-16-25(45)17-12-23)40-30(46)18-13-22-9-14-24(44)15-10-22/h3-4,6,8-12,14-17,21,27-28,31,44-45H,5,7,13,18-20H2,1-2H3,(H,40,46)(H,41,49)(H,43,48)(H4,37,38,39)/t27-,28-,31-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-L-Fucosidase of bovine epididymis expressed as Ki


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM236494
PNG
(US9365853, 5)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C18H24N6O3S/c1-10(22-11(2)25)16(27)23-13(7-5-9-21-18(19)20)15(26)17-24-12-6-3-4-8-14(12)28-17/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,22,25)(H,23,27)(H4,19,20,21)/t10-,13-/m0/s1
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US Patent
1.40 -50.5n/an/an/an/an/a7.425



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


US Patent US9365853 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C6F
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032698
PNG
(CHEMBL3354676)
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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1.40n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236933
PNG
(CHEMBL4101897)
Show SMILES CC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O4S/c1-2-26(33(46)42-28(17-11-23-39-36(37)38)32(45)35-43-27-16-9-10-18-30(27)48-35)41-34(47)29(21-19-24-12-5-3-6-13-24)40-31(44)22-20-25-14-7-4-8-15-25/h3-10,12-16,18,26,28-29H,2,11,17,19-23H2,1H3,(H,40,44)(H,41,47)(H,42,46)(H4,37,38,39)/t26-,28-,29-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236914
PNG
(CHEMBL4091809)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O5S/c1-22(2)31(34(48)41-27(12-8-20-39-36(37)38)32(46)35-42-26-11-6-7-13-29(26)49-35)43-33(47)28(21-24-14-17-25(44)18-15-24)40-30(45)19-16-23-9-4-3-5-10-23/h3-7,9-11,13-15,17-18,22,27-28,31,44H,8,12,16,19-21H2,1-2H3,(H,40,45)(H,41,48)(H,43,47)(H4,37,38,39)/t27-,28-,31-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032708
PNG
(CHEMBL3354685)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C41H48N10O4S/c1-23(2)18-28(42)37(53)49-33(19-24-21-46-29-12-5-3-10-26(24)29)39(55)50-34(20-25-22-47-30-13-6-4-11-27(25)30)38(54)48-32(15-9-17-45-41(43)44)36(52)40-51-31-14-7-8-16-35(31)56-40/h3-8,10-14,16,21-23,28,32-34,46-47H,9,15,17-20,42H2,1-2H3,(H,48,54)(H,49,53)(H,50,55)(H4,43,44,45)/t28-,32-,33-,34-/m0/s1
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2n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236915
PNG
(CHEMBL4100506)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C37H45N7O4S/c1-24(2)32(35(48)42-28(17-11-23-40-37(38)39)33(46)36-43-27-16-9-10-18-30(27)49-36)44-34(47)29(21-19-25-12-5-3-6-13-25)41-31(45)22-20-26-14-7-4-8-15-26/h3-10,12-16,18,24,28-29,32H,11,17,19-23H2,1-2H3,(H,41,45)(H,42,48)(H,44,47)(H4,38,39,40)/t28-,29-,32-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236934
PNG
(CHEMBL4083908)
Show SMILES CCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C37H45N7O4S/c1-2-12-29(34(47)42-28(18-11-24-40-37(38)39)33(46)36-44-27-17-9-10-19-31(27)49-36)43-35(48)30(22-20-25-13-5-3-6-14-25)41-32(45)23-21-26-15-7-4-8-16-26/h3-10,13-17,19,28-30H,2,11-12,18,20-24H2,1H3,(H,41,45)(H,42,47)(H,43,48)(H4,38,39,40)/t28-,29-,30-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032709
PNG
(CHEMBL3354686)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H45N11O5S/c1-15(2)13-19(37-23(42)16(29)7-5-11-34-27(30)31)24(43)38-20(14-40)25(44)36-18(9-6-12-35-28(32)33)22(41)26-39-17-8-3-4-10-21(17)45-26/h3-4,8,10,15-16,18-20,40H,5-7,9,11-14,29H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t16-,18-,19-,20-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236931
PNG
(CHEMBL4104560)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H47N7O4S/c1-3-25(2)33(36(49)43-29(18-12-24-41-38(39)40)34(47)37-44-28-17-10-11-19-31(28)50-37)45-35(48)30(22-20-26-13-6-4-7-14-26)42-32(46)23-21-27-15-8-5-9-16-27/h4-11,13-17,19,25,29-30,33H,3,12,18,20-24H2,1-2H3,(H,42,46)(H,43,49)(H,45,48)(H4,39,40,41)/t25-,29+,30+,33+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032707
PNG
(CHEMBL3354684)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H44N8O6S/c1-20(2)30(34(50)41-27(7-5-17-40-36(38)39)31(47)35-43-26-6-3-4-8-29(26)51-35)44-33(49)28(19-22-11-15-24(46)16-12-22)42-32(48)25(37)18-21-9-13-23(45)14-10-21/h3-4,6,8-16,20,25,27-28,30,45-46H,5,7,17-19,37H2,1-2H3,(H,41,50)(H,42,48)(H,44,49)(H4,38,39,40)/t25-,27-,28-,30-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032707
PNG
(CHEMBL3354684)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H44N8O6S/c1-20(2)30(34(50)41-27(7-5-17-40-36(38)39)31(47)35-43-26-6-3-4-8-29(26)51-35)44-33(49)28(19-22-11-15-24(46)16-12-22)42-32(48)25(37)18-21-9-13-23(45)14-10-21/h3-4,6,8-16,20,25,27-28,30,45-46H,5,7,17-19,37H2,1-2H3,(H,41,50)(H,42,48)(H,44,49)(H4,38,39,40)/t25-,27-,28-,30-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-L-Fucosidase of human placenta expressed as Ki


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236938
PNG
(CHEMBL4086405)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O5S/c1-23(44)31(34(48)41-27(16-10-22-39-36(37)38)32(46)35-42-26-15-8-9-17-29(26)49-35)43-33(47)28(20-18-24-11-4-2-5-12-24)40-30(45)21-19-25-13-6-3-7-14-25/h2-9,11-15,17,23,27-28,31,44H,10,16,18-22H2,1H3,(H,40,45)(H,41,48)(H,43,47)(H4,37,38,39)/t23-,27-,28-,31-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236929
PNG
(CHEMBL4103673)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C42H45N9O6S/c43-30(20-24-11-15-27(52)16-12-24)38(55)49-34(21-25-13-17-28(53)18-14-25)39(56)50-35(22-26-23-47-31-7-2-1-6-29(26)31)40(57)48-33(9-5-19-46-42(44)45)37(54)41-51-32-8-3-4-10-36(32)58-41/h1-4,6-8,10-18,23,30,33-35,47,52-53H,5,9,19-22,43H2,(H,48,57)(H,49,55)(H,50,56)(H4,44,45,46)/t30-,33-,34-,35-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50420334
PNG
(CHEMBL2086421)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tight binding inhibition of human matriptase2 expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prio...


ACS Med Chem Lett 3: 530-534 (2012)


Article DOI: 10.1021/ml3000534
BindingDB Entry DOI: 10.7270/Q2DN469X
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236919
PNG
(CHEMBL4073691)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C43H49N7O5S/c1-28(2)38(41(54)48-34(17-11-25-46-43(44)45)39(52)42-49-33-16-9-10-18-36(33)56-42)50-40(53)35(47-37(51)24-21-29-12-5-3-6-13-29)26-30-19-22-32(23-20-30)55-27-31-14-7-4-8-15-31/h3-10,12-16,18-20,22-23,28,34-35,38H,11,17,21,24-27H2,1-2H3,(H,47,51)(H,48,54)(H,50,53)(H4,44,45,46)/t34-,35-,38-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236926
PNG
(CHEMBL4101235)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H47N7O4S/c1-3-25(2)33(36(49)43-29(18-12-24-41-38(39)40)34(47)37-44-28-17-10-11-19-31(28)50-37)45-35(48)30(22-20-26-13-6-4-7-14-26)42-32(46)23-21-27-15-8-5-9-16-27/h4-11,13-17,19,25,29-30,33H,3,12,18,20-24H2,1-2H3,(H,42,46)(H,43,49)(H,45,48)(H4,39,40,41)/t25-,29-,30-,33-/m0/s1
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4n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha-L-Fucosidase of human placenta


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM236496
PNG
(US9365853, 7)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C31H47N13O8S/c1-15(40-27(51)19(10-11-22(33)45)42-26(50)16(32)6-4-12-38-30(34)35)25(49)43-20(14-23(46)47)28(52)41-18(8-5-13-39-31(36)37)24(48)29-44-17-7-2-3-9-21(17)53-29/h2-3,7,9,15-16,18-20H,4-6,8,10-14,32H2,1H3,(H2,33,45)(H,40,51)(H,41,52)(H,42,50)(H,43,49)(H,46,47)(H4,34,35,38)(H4,36,37,39)/t15-,16-,18+,19-,20-/m0/s1
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US Patent
4.60 -47.6n/an/an/an/an/a7.425



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


US Patent US9365853 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C6F
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236917
PNG
(CHEMBL4099552)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43ClN8O5S/c1-20(2)30(34(50)42-27(10-6-16-41-36(39)40)31(47)35-44-26-9-3-4-11-29(26)51-35)45-33(49)28(19-22-7-5-8-23(37)17-22)43-32(48)25(38)18-21-12-14-24(46)15-13-21/h3-5,7-9,11-15,17,20,25,27-28,30,46H,6,10,16,18-19,38H2,1-2H3,(H,42,50)(H,43,48)(H,45,49)(H4,39,40,41)/t25-,27-,28-,30-/m0/s1
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5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236922
PNG
(CHEMBL4089262)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C40H44N8O8S/c41-27(18-22-7-12-25(49)13-8-22)36(54)46-30(19-23-9-14-26(50)15-10-23)38(56)47-31(20-24-11-16-32(51)33(52)21-24)37(55)45-29(5-3-17-44-40(42)43)35(53)39-48-28-4-1-2-6-34(28)57-39/h1-2,4,6-16,21,27,29-31,49-52H,3,5,17-20,41H2,(H,45,55)(H,46,54)(H,47,56)(H4,42,43,44)/t27-,29-,30-,31-/m0/s1
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5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236937
PNG
(CHEMBL4074504)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H47N7O4S/c1-3-25(2)33(36(49)43-29(18-12-24-41-38(39)40)34(47)37-44-28-17-10-11-19-31(28)50-37)45-35(48)30(22-20-26-13-6-4-7-14-26)42-32(46)23-21-27-15-8-5-9-16-27/h4-11,13-17,19,25,29-30,33H,3,12,18,20-24H2,1-2H3,(H,42,46)(H,43,49)(H,45,48)(H4,39,40,41)/t25-,29+,30+,33-/m1/s1
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5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236925
PNG
(CHEMBL4084785)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H47N7O4S/c1-25(2)24-31(36(49)43-29(17-11-23-41-38(39)40)34(47)37-45-28-16-9-10-18-32(28)50-37)44-35(48)30(21-19-26-12-5-3-6-13-26)42-33(46)22-20-27-14-7-4-8-15-27/h3-10,12-16,18,25,29-31H,11,17,19-24H2,1-2H3,(H,42,46)(H,43,49)(H,44,48)(H4,39,40,41)/t29-,30-,31-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236936
PNG
(CHEMBL4073533)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O5S/c1-23(44)31(34(48)41-27(16-10-22-39-36(37)38)32(46)35-42-26-15-8-9-17-29(26)49-35)43-33(47)28(20-18-24-11-4-2-5-12-24)40-30(45)21-19-25-13-6-3-7-14-25/h2-9,11-15,17,23,27-28,31,44H,10,16,18-22H2,1H3,(H,40,45)(H,41,48)(H,43,47)(H4,37,38,39)/t23-,27+,28+,31+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236927
PNG
(CHEMBL4065870)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C44H46N8O6S/c45-33(23-26-12-17-31(53)18-13-26)40(56)50-36(24-27-14-19-32(54)20-15-27)42(58)51-37(25-28-11-16-29-6-1-2-7-30(29)22-28)41(57)49-35(9-5-21-48-44(46)47)39(55)43-52-34-8-3-4-10-38(34)59-43/h1-4,6-8,10-20,22,33,35-37,53-54H,5,9,21,23-25,45H2,(H,49,57)(H,50,56)(H,51,58)(H4,46,47,48)/t33-,35-,36-,37-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236913
PNG
(CHEMBL4065964)
Show SMILES CC(C)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H45N7O5S/c1-19(2)11-16-27(42)37-25(18-21-12-14-22(41)15-13-21)30(44)40-28(20(3)4)31(45)38-24(9-7-17-36-33(34)35)29(43)32-39-23-8-5-6-10-26(23)46-32/h5-6,8,10,12-15,19-20,24-25,28,41H,7,9,11,16-18H2,1-4H3,(H,37,42)(H,38,45)(H,40,44)(H4,34,35,36)/t24-,25-,28-/m0/s1
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6n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236912
PNG
(CHEMBL4093566)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C39H51N7O5S/c1-22(2)33(36(51)44-29(7-5-13-42-38(40)41)34(49)37-45-28-6-3-4-8-31(28)52-37)46-35(50)30(17-23-9-11-27(47)12-10-23)43-32(48)21-39-18-24-14-25(19-39)16-26(15-24)20-39/h3-4,6,8-12,22,24-26,29-30,33,47H,5,7,13-21H2,1-2H3,(H,43,48)(H,44,51)(H,46,50)(H4,40,41,42)/t24?,25?,26?,29-,30-,33-,39?/m0/s1
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6n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236928
PNG
(CHEMBL4085747)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H42N8O6S2/c39-27(19-22-9-13-24(47)14-10-22)34(50)44-30(20-23-11-15-25(48)16-12-23)35(51)45-31(21-26-5-4-18-53-26)36(52)43-29(7-3-17-42-38(40)41)33(49)37-46-28-6-1-2-8-32(28)54-37/h1-2,4-6,8-16,18,27,29-31,47-48H,3,7,17,19-21,39H2,(H,43,52)(H,44,50)(H,45,51)(H4,40,41,42)/t27-,29-,30-,31-/m0/s1
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6n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032699
PNG
(CHEMBL3354677)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C31H43N11O5S/c1-17(26(45)40-22(8-5-15-38-31(35)36)25(44)29-42-21-7-2-3-9-24(21)48-29)39-28(47)23(16-18-10-12-19(43)13-11-18)41-27(46)20(32)6-4-14-37-30(33)34/h2-3,7,9-13,17,20,22-23,43H,4-6,8,14-16,32H2,1H3,(H,39,47)(H,40,45)(H,41,46)(H4,33,34,37)(H4,35,36,38)/t17-,20-,22-,23-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236930
PNG
(CHEMBL4063137)
Show SMILES CC(C)[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C37H45N7O4S/c1-24(2)32(35(48)42-28(17-11-23-40-37(38)39)33(46)36-43-27-16-9-10-18-30(27)49-36)44-34(47)29(21-19-25-12-5-3-6-13-25)41-31(45)22-20-26-14-7-4-8-15-26/h3-10,12-16,18,24,28-29,32H,11,17,19-23H2,1-2H3,(H,41,45)(H,42,48)(H,44,47)(H4,38,39,40)/t28-,29-,32+/m0/s1
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7n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032696
PNG
(CHEMBL3354674)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H44N12O5S/c30-16(6-3-13-36-28(32)33)24(44)39-19(11-12-22(31)42)27(46)41-15-5-9-20(41)25(45)38-18(8-4-14-37-29(34)35)23(43)26-40-17-7-1-2-10-21(17)47-26/h1-2,7,10,16,18-20H,3-6,8-9,11-15,30H2,(H2,31,42)(H,38,45)(H,39,44)(H4,32,33,36)(H4,34,35,37)/t16-,18-,19-,20-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236916
PNG
(CHEMBL4070960)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H44N8O5S/c1-21(2)30(34(49)41-27(12-8-18-40-36(38)39)31(46)35-43-26-11-6-7-13-29(26)50-35)44-33(48)28(20-22-9-4-3-5-10-22)42-32(47)25(37)19-23-14-16-24(45)17-15-23/h3-7,9-11,13-17,21,25,27-28,30,45H,8,12,18-20,37H2,1-2H3,(H,41,49)(H,42,47)(H,44,48)(H4,38,39,40)/t25-,27-,28-,30-/m0/s1
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9n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM236492
PNG
(US9365853, 3)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H42N10O5S/c1-15(34-25(42)19(11-12-21(30)38)36-24(41)16(29)7-6-14-33-27(31)32)23(40)35-18(9-4-5-13-28)22(39)26-37-17-8-2-3-10-20(17)43-26/h2-3,8,10,15-16,18-19H,4-7,9,11-14,28-29H2,1H3,(H2,30,38)(H,34,42)(H,35,40)(H,36,41)(H4,31,32,33)/t15-,16-,18-,19-/m0/s1
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US Patent
9.5 -45.8n/an/an/an/an/a7.425



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


US Patent US9365853 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C6F
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236923
PNG
(CHEMBL4085021)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C37H41N9O6S2/c38-26(16-21-7-11-24(47)12-8-21)33(50)44-29(17-22-9-13-25(48)14-10-22)34(51)45-30(18-23-19-53-20-42-23)35(52)43-28(5-3-15-41-37(39)40)32(49)36-46-27-4-1-2-6-31(27)54-36/h1-2,4,6-14,19-20,26,28-30,47-48H,3,5,15-18,38H2,(H,43,52)(H,44,50)(H,45,51)(H4,39,40,41)/t26-,28-,29-,30-/m0/s1
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13n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032701
PNG
(CHEMBL3354679)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H41N9O5S/c1-14(2)13-16(28)24(40)35-19(10-11-21(29)37)25(41)33-15(3)23(39)34-18(8-6-12-32-27(30)31)22(38)26-36-17-7-4-5-9-20(17)42-26/h4-5,7,9,14-16,18-19H,6,8,10-13,28H2,1-3H3,(H2,29,37)(H,33,41)(H,34,39)(H,35,40)(H4,30,31,32)/t15-,16-,18-,19-/m0/s1
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13n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032700
PNG
(CHEMBL3354678)
Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H46N14O4S/c1-15(39-24(46)19(10-6-14-38-28(34)35)41-23(45)16(29)7-4-12-36-26(30)31)22(44)40-18(9-5-13-37-27(32)33)21(43)25-42-17-8-2-3-11-20(17)47-25/h2-3,8,11,15-16,18-19H,4-7,9-10,12-14,29H2,1H3,(H,39,46)(H,40,44)(H,41,45)(H4,30,31,36)(H4,32,33,37)(H4,34,35,38)/t15-,16-,18-,19-/m0/s1
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15n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032710
PNG
(CHEMBL3354687)
Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C31H43N9O5S/c1-18(37-29(45)24(8-4-5-15-32)39-28(44)21(33)17-19-11-13-20(41)14-12-19)27(43)38-23(9-6-16-36-31(34)35)26(42)30-40-22-7-2-3-10-25(22)46-30/h2-3,7,10-14,18,21,23-24,41H,4-6,8-9,15-17,32-33H2,1H3,(H,37,45)(H,38,43)(H,39,44)(H4,34,35,36)/t18-,21-,23-,24-/m0/s1
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21n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032705
PNG
(CHEMBL3354682)
Show SMILES C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C26H40N10O5S/c1-14(33-24(41)18(13-20(29)37)35-23(40)15(28)7-4-5-11-27)22(39)34-17(9-6-12-32-26(30)31)21(38)25-36-16-8-2-3-10-19(16)42-25/h2-3,8,10,14-15,17-18H,4-7,9,11-13,27-28H2,1H3,(H2,29,37)(H,33,41)(H,34,39)(H,35,40)(H4,30,31,32)/t14-,15-,17-,18-/m0/s1
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25n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032702
PNG
(CHEMBL3352840)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C24H35N9O6S/c1-12(30-22(39)16(8-9-18(26)35)32-21(38)13(25)11-34)20(37)31-15(6-4-10-29-24(27)28)19(36)23-33-14-5-2-3-7-17(14)40-23/h2-3,5,7,12-13,15-16,34H,4,6,8-11,25H2,1H3,(H2,26,35)(H,30,39)(H,31,37)(H,32,38)(H4,27,28,29)/t12-,13-,15-,16-/m0/s1
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35n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032703
PNG
(CHEMBL3354680)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C35H46N12O6S/c36-21(17-19-18-43-22-8-2-1-7-20(19)22)30(51)45-25(11-6-16-42-35(39)40)31(52)46-26(13-14-28(48)49)32(53)44-24(10-5-15-41-34(37)38)29(50)33-47-23-9-3-4-12-27(23)54-33/h1-4,7-9,12,18,21,24-26,43H,5-6,10-11,13-17,36H2,(H,44,53)(H,45,51)(H,46,52)(H,48,49)(H4,37,38,41)(H4,39,40,42)/t21-,24-,25-,26-/m0/s1
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47n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50032704
PNG
(CHEMBL3354681)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H42N12O5S/c29-15(6-3-11-35-27(31)32)23(43)38-18(14-21(30)41)26(45)40-13-5-9-19(40)24(44)37-17(8-4-12-36-28(33)34)22(42)25-39-16-7-1-2-10-20(16)46-25/h1-2,7,10,15,17-19H,3-6,8-9,11-14,29H2,(H2,30,41)(H,37,44)(H,38,43)(H4,31,32,35)(H4,33,34,36)/t15-,17-,18-,19-/m0/s1
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48n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis


J Med Chem 57: 10198-204 (2014)


Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236921
PNG
(CHEMBL4062334)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C37H42N10O6S/c38-26(16-21-7-11-24(48)12-8-21)33(51)45-29(17-22-9-13-25(49)14-10-22)34(52)46-30(18-23-19-41-20-43-23)35(53)44-28(5-3-15-42-37(39)40)32(50)36-47-27-4-1-2-6-31(27)54-36/h1-2,4,6-14,19-20,26,28-30,48-49H,3,5,15-18,38H2,(H,41,43)(H,44,53)(H,45,51)(H,46,52)(H4,39,40,42)/t26-,28-,29-,30-/m0/s1
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56n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50125048
PNG
(CHEMBL3623788)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)[C@@H](C)O
Show InChI InChI=1S/C55H93N21O15S2/c1-4-28(2)41-52(89)76-20-10-15-39(76)51(88)75-19-9-14-38(75)49(86)67-33(13-8-18-64-55(60)61)45(82)71-36(47(84)69-34(53(90)91)21-30-23-62-27-65-30)25-92-93-26-37(72-43(80)31(66-40(79)22-57)12-7-17-63-54(58)59)48(85)74-42(29(3)78)50(87)68-32(11-5-6-16-56)44(81)70-35(24-77)46(83)73-41/h23,27-29,31-39,41-42,77-78H,4-22,24-26,56-57H2,1-3H3,(H,62,65)(H,66,79)(H,67,86)(H,68,87)(H,69,84)(H,70,81)(H,71,82)(H,72,80)(H,73,83)(H,74,85)(H,90,91)(H4,58,59,63)(H4,60,61,64)/t28-,29+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1
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82n/an/an/an/an/an/an/an/a



Queensland University of Technology

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Ac-RQFRpNA substrate by spectrophotometry method


J Med Chem 58: 8257-68 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01148
BindingDB Entry DOI: 10.7270/Q2PR7XSJ
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50125047
PNG
(CHEMBL3623789)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN
Show InChI InChI=1S/C53H87N21O17S2/c1-26(76)40-48(87)66-29(8-2-3-13-54)42(81)69-33(22-75)44(83)67-31(19-39(78)79)49(88)74-17-7-12-37(74)50(89)73-16-6-11-36(73)47(86)65-30(10-5-15-62-53(58)59)43(82)70-34(45(84)68-32(51(90)91)18-27-21-60-25-63-27)23-92-93-24-35(46(85)72-40)71-41(80)28(64-38(77)20-55)9-4-14-61-52(56)57/h21,25-26,28-37,40,75-76H,2-20,22-24,54-55H2,1H3,(H,60,63)(H,64,77)(H,65,86)(H,66,87)(H,67,83)(H,68,84)(H,69,81)(H,70,82)(H,71,80)(H,72,85)(H,78,79)(H,90,91)(H4,56,57,61)(H4,58,59,62)/t26-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,40+/m1/s1
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87n/an/an/an/an/an/an/an/a



Queensland University of Technology

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Ac-RQFRpNA substrate by spectrophotometry method


J Med Chem 58: 8257-68 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01148
BindingDB Entry DOI: 10.7270/Q2PR7XSJ
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(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
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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170n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human purified matriptase 2 catalytic domain expressed in HEK293 cells after 20 mins


J Med Chem 53: 5523-35 (2010)


Article DOI: 10.1021/jm100183e
BindingDB Entry DOI: 10.7270/Q25B02PD
More data for this
Ligand-Target Pair
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