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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'ghinet' and Initial = 'm'   
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 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 |r|
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))
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 |r|
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 |r|
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
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 |r|
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 |r|
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))
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 |r|
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 |r|
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))
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 |r|
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))
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 |r|
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))
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 |r|
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 |r|
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))
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 |r|
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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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4n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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 |r|
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
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 |r|
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 |r|
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 |r|
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 |r|
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 |r|
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 |r|
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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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5.60n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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 |r|
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))
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 |r|
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))
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 |r,TLB:19:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
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))
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 |r|
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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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7n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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))
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 |r|
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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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12n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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))
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 |r|
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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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19n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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20n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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20n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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26n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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28n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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32n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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34n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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34n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r,TLB:19:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
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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39n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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43n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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44n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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48n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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51n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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))
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 |r|
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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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63n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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65n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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71n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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120n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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120n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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150n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


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
Suppressor of tumorigenicity 14 protein


(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 |r|
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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200n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


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
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