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Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'damalanka' and Initial = 'vc'   
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
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518599
PNG
(CHEMBL4454016)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H50N10O6S/c1-18(2)17-24(41-29(47)23(13-14-26(34)44)40-28(46)22(38-19(3)43)10-6-7-15-33)30(48)39-21(11-8-16-37-32(35)36)27(45)31-42-20-9-4-5-12-25(20)49-31/h4-5,9,12,18,21-24H,6-8,10-11,13-17,33H2,1-3H3,(H2,34,44)(H,38,43)(H,39,48)(H,40,46)(H,41,47)(H4,35,36,37)/t21-,22-,23-,24-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518590
PNG
(CHEMBL4548036)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C30H30N6O4S/c31-29(32)33-15-7-13-24(27(38)28-36-23-12-5-6-14-25(23)41-28)35-26(37)16-34-30(39)40-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24H,7,13,15-17H2,(H,34,39)(H,35,37)(H4,31,32,33)/t24-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518598
PNG
(CHEMBL4540950)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C30H47N9O6S/c1-17(2)15-22(38-26(43)21(10-6-7-13-31)37-28(45)23(16-40)35-18(3)41)27(44)36-20(11-8-14-34-30(32)33)25(42)29-39-19-9-4-5-12-24(19)46-29/h4-5,9,12,17,20-23,40H,6-8,10-11,13-16,31H2,1-3H3,(H,35,41)(H,36,44)(H,37,45)(H,38,43)(H4,32,33,34)/t20-,21-,22-,23-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(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 |r|
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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0.180n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin)


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518597
PNG
(CHEMBL4469801)
Show SMILES NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H39N7O4S/c35-18-8-7-15-28(41-34(44)45-20-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25)31(43)39-27(16-9-19-38-33(36)37)30(42)32-40-26-14-5-6-17-29(26)46-32/h1-6,10-14,17,25,27-28H,7-9,15-16,18-20,35H2,(H,39,43)(H,41,44)(H4,36,37,38)/t27-,28-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518606
PNG
(CHEMBL4562668)
Show SMILES C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H32N6O4S/c1-18(35-31(40)41-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23)28(39)36-25(14-8-16-34-30(32)33)27(38)29-37-24-13-6-7-15-26(24)42-29/h2-7,9-13,15,18,23,25H,8,14,16-17H2,1H3,(H,35,40)(H,36,39)(H4,32,33,34)/t18-,25-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518609
PNG
(CHEMBL4571215)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H34N6O4S/c34-32(35)36-17-7-14-26(29(40)31-38-25-13-5-6-16-28(25)44-31)37-30(41)27-15-8-18-39(27)33(42)43-19-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-6,9-13,16,24,26-27H,7-8,14-15,17-19H2,(H,37,41)(H4,34,35,36)/t26-,27-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518599
PNG
(CHEMBL4454016)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H50N10O6S/c1-18(2)17-24(41-29(47)23(13-14-26(34)44)40-28(46)22(38-19(3)43)10-6-7-15-33)30(48)39-21(11-8-16-37-32(35)36)27(45)31-42-20-9-4-5-12-25(20)49-31/h4-5,9,12,18,21-24H,6-8,10-11,13-17,33H2,1-3H3,(H2,34,44)(H,38,43)(H,39,48)(H,40,46)(H,41,47)(H4,35,36,37)/t21-,22-,23-,24-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518605
PNG
(CHEMBL4567317)
Show SMILES NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H35N7O5S/c34-28(41)16-15-26(40-33(44)45-18-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23)30(43)38-25(13-7-17-37-32(35)36)29(42)31-39-24-12-5-6-14-27(24)46-31/h1-6,8-12,14,23,25-26H,7,13,15-18H2,(H2,34,41)(H,38,43)(H,40,44)(H4,35,36,37)/t25-,26-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50032933
PNG
(CHEMBL3356592)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C31H46N10O6S/c1-19(42)38-22(10-5-6-14-32)27(45)40-23(12-13-25(33)43)28(46)41-24(18-20-8-3-2-4-9-20)29(47)39-21(11-7-15-37-31(34)35)26(44)30-36-16-17-48-30/h2-4,8-9,16-17,21-24H,5-7,10-15,18,32H2,1H3,(H2,33,43)(H,38,42)(H,39,47)(H,40,45)(H,41,46)(H4,34,35,37)/t21-,22-,23-,24-/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin)


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518596
PNG
(CHEMBL4463174)
Show SMILES NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H33N7O5S/c33-27(40)16-25(39-32(43)44-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22)29(42)37-24(13-7-15-36-31(34)35)28(41)30-38-23-12-5-6-14-26(23)45-30/h1-6,8-12,14,22,24-25H,7,13,15-17H2,(H2,33,40)(H,37,42)(H,39,43)(H4,34,35,36)/t24-,25-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518598
PNG
(CHEMBL4540950)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C30H47N9O6S/c1-17(2)15-22(38-26(43)21(10-6-7-13-31)37-28(45)23(16-40)35-18(3)41)27(44)36-20(11-8-14-34-30(32)33)25(42)29-39-19-9-4-5-12-24(19)46-29/h4-5,9,12,17,20-23,40H,6-8,10-11,13-16,31H2,1-3H3,(H,35,41)(H,36,44)(H,37,45)(H,38,43)(H4,32,33,34)/t20-,21-,22-,23-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518607
PNG
(CHEMBL4562796)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H39N9O4S/c35-32(36)39-17-7-14-26(29(44)31-42-25-13-5-6-16-28(25)48-31)41-30(45)27(15-8-18-40-33(37)38)43-34(46)47-19-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-6,9-13,16,24,26-27H,7-8,14-15,17-19H2,(H,41,45)(H,43,46)(H4,35,36,39)(H4,37,38,40)/t26-,27-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518603
PNG
(CHEMBL4472544)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H32N6O5S/c32-30(33)34-15-7-13-24(27(39)29-36-23-12-5-6-14-26(23)43-29)35-28(40)25(16-38)37-31(41)42-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24-25,38H,7,13,15-17H2,(H,35,40)(H,37,41)(H4,32,33,34)/t24-,25-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518591
PNG
(CHEMBL4552828)
Show SMILES CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H36N6O4S2/c1-44-18-16-27(39-33(42)43-19-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24)30(41)37-26(14-8-17-36-32(34)35)29(40)31-38-25-13-6-7-15-28(25)45-31/h2-7,9-13,15,24,26-27H,8,14,16-19H2,1H3,(H,37,41)(H,39,42)(H4,34,35,36)/t26-,27-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518593
PNG
(CHEMBL4467638)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H34N6O6S/c34-32(35)36-17-7-13-25(29(42)31-38-24-12-5-6-14-27(24)46-31)37-30(43)26(15-16-28(40)41)39-33(44)45-18-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-6,8-12,14,23,25-26H,7,13,15-18H2,(H,37,43)(H,39,44)(H,40,41)(H4,34,35,36)/t25-,26-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518604
PNG
(CHEMBL4551624)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H34N8O4S/c35-33(36)38-15-7-13-27(30(43)32-41-26-12-5-6-14-29(26)47-32)40-31(44)28(16-20-17-37-19-39-20)42-34(45)46-18-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-6,8-12,14,17,19,25,27-28H,7,13,15-16,18H2,(H,37,39)(H,40,44)(H,42,45)(H4,35,36,38)/t27-,28-/m0/s1
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11n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518595
PNG
(CHEMBL4472547)
Show SMILES CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H36N6O4S/c1-19(2)28(39-33(42)43-18-24-22-12-5-3-10-20(22)21-11-4-6-13-23(21)24)30(41)37-26(15-9-17-36-32(34)35)29(40)31-38-25-14-7-8-16-27(25)44-31/h3-8,10-14,16,19,24,26,28H,9,15,17-18H2,1-2H3,(H,37,41)(H,39,42)(H4,34,35,36)/t26-,28-/m0/s1
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18n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518601
PNG
(CHEMBL4460256)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C37H36N6O5S/c38-36(39)40-19-7-13-30(33(45)35-42-29-12-5-6-14-32(29)49-35)41-34(46)31(20-22-15-17-23(44)18-16-22)43-37(47)48-21-28-26-10-3-1-8-24(26)25-9-2-4-11-27(25)28/h1-6,8-12,14-18,28,30-31,44H,7,13,19-21H2,(H,41,46)(H,43,47)(H4,38,39,40)/t30-,31-/m0/s1
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25n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50518599
PNG
(CHEMBL4454016)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H50N10O6S/c1-18(2)17-24(41-29(47)23(13-14-26(34)44)40-28(46)22(38-19(3)43)10-6-7-15-33)30(48)39-21(11-8-16-37-32(35)36)27(45)31-42-20-9-4-5-12-25(20)49-31/h4-5,9,12,18,21-24H,6-8,10-11,13-17,33H2,1-3H3,(H2,34,44)(H,38,43)(H,39,48)(H,40,46)(H,41,47)(H4,35,36,37)/t21-,22-,23-,24-/m0/s1
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30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by flu...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50518598
PNG
(CHEMBL4540950)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C30H47N9O6S/c1-17(2)15-22(38-26(43)21(10-6-7-13-31)37-28(45)23(16-40)35-18(3)41)27(44)36-20(11-8-14-34-30(32)33)25(42)29-39-19-9-4-5-12-24(19)46-29/h4-5,9,12,17,20-23,40H,6-8,10-11,13-16,31H2,1-3H3,(H,35,41)(H,36,44)(H,37,45)(H,38,43)(H4,32,33,34)/t20-,21-,22-,23-/m0/s1
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33n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by flu...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518608
PNG
(CHEMBL4561858)
Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H38N6O4S/c1-20(2)18-28(40-34(43)44-19-25-23-12-5-3-10-21(23)22-11-4-6-13-24(22)25)31(42)38-27(15-9-17-37-33(35)36)30(41)32-39-26-14-7-8-16-29(26)45-32/h3-8,10-14,16,20,25,27-28H,9,15,17-19H2,1-2H3,(H,38,42)(H,40,43)(H4,35,36,37)/t27-,28-/m0/s1
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67n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518602
PNG
(CHEMBL4462941)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H32N6O6S/c33-31(34)35-15-7-13-24(28(41)30-37-23-12-5-6-14-26(23)45-30)36-29(42)25(16-27(39)40)38-32(43)44-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24-25H,7,13,15-17H2,(H,36,42)(H,38,43)(H,39,40)(H4,33,34,35)/t24-,25-/m0/s1
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98n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518607
PNG
(CHEMBL4562796)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H39N9O4S/c35-32(36)39-17-7-14-26(29(44)31-42-25-13-5-6-16-28(25)48-31)41-30(45)27(15-8-18-40-33(37)38)43-34(46)47-19-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-6,9-13,16,24,26-27H,7-8,14-15,17-19H2,(H,41,45)(H,43,46)(H4,35,36,39)(H4,37,38,40)/t26-,27-/m0/s1
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102n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518597
PNG
(CHEMBL4469801)
Show SMILES NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H39N7O4S/c35-18-8-7-15-28(41-34(44)45-20-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25)31(43)39-27(16-9-19-38-33(36)37)30(42)32-40-26-14-5-6-17-29(26)46-32/h1-6,10-14,17,25,27-28H,7-9,15-16,18-20,35H2,(H,39,43)(H,41,44)(H4,36,37,38)/t27-,28-/m0/s1
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104n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518596
PNG
(CHEMBL4463174)
Show SMILES NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H33N7O5S/c33-27(40)16-25(39-32(43)44-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22)29(42)37-24(13-7-15-36-31(34)35)28(41)30-38-23-12-5-6-14-26(23)45-30/h1-6,8-12,14,22,24-25H,7,13,15-17H2,(H2,33,40)(H,37,42)(H,39,43)(H4,34,35,36)/t24-,25-/m0/s1
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106n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518605
PNG
(CHEMBL4567317)
Show SMILES NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H35N7O5S/c34-28(41)16-15-26(40-33(44)45-18-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23)30(43)38-25(13-7-17-37-32(35)36)29(42)31-39-24-12-5-6-14-27(24)46-31/h1-6,8-12,14,23,25-26H,7,13,15-18H2,(H2,34,41)(H,38,43)(H,40,44)(H4,35,36,37)/t25-,26-/m0/s1
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116n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518595
PNG
(CHEMBL4472547)
Show SMILES CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H36N6O4S/c1-19(2)28(39-33(42)43-18-24-22-12-5-3-10-20(22)21-11-4-6-13-23(21)24)30(41)37-26(15-9-17-36-32(34)35)29(40)31-38-25-14-7-8-16-27(25)44-31/h3-8,10-14,16,19,24,26,28H,9,15,17-18H2,1-2H3,(H,37,41)(H,39,42)(H4,34,35,36)/t26-,28-/m0/s1
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125n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518600
PNG
(CHEMBL4455095)
Show SMILES C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O5S/c1-18(39)27(38-32(42)43-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23)29(41)36-25(14-8-16-35-31(33)34)28(40)30-37-24-13-6-7-15-26(24)44-30/h2-7,9-13,15,18,23,25,27,39H,8,14,16-17H2,1H3,(H,36,41)(H,38,42)(H4,33,34,35)/t18-,25+,27+/m1/s1
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180n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518592
PNG
(CHEMBL4528632)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C37H36N6O4S/c38-36(39)40-20-10-18-30(33(44)35-42-29-17-8-9-19-32(29)48-35)41-34(45)31(21-23-11-2-1-3-12-23)43-37(46)47-22-28-26-15-6-4-13-24(26)25-14-5-7-16-27(25)28/h1-9,11-17,19,28,30-31H,10,18,20-22H2,(H,41,45)(H,43,46)(H4,38,39,40)/t30-,31-/m0/s1
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188n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518604
PNG
(CHEMBL4551624)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H34N8O4S/c35-33(36)38-15-7-13-27(30(43)32-41-26-12-5-6-14-29(26)47-32)40-31(44)28(16-20-17-37-19-39-20)42-34(45)46-18-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-6,8-12,14,17,19,25,27-28H,7,13,15-16,18H2,(H,37,39)(H,40,44)(H,42,45)(H4,35,36,38)/t27-,28-/m0/s1
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226n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518591
PNG
(CHEMBL4552828)
Show SMILES CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H36N6O4S2/c1-44-18-16-27(39-33(42)43-19-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24)30(41)37-26(14-8-17-36-32(34)35)29(40)31-38-25-13-6-7-15-28(25)45-31/h2-7,9-13,15,24,26-27H,8,14,16-19H2,1H3,(H,37,41)(H,39,42)(H4,34,35,36)/t26-,27-/m0/s1
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227n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518594
PNG
(CHEMBL4445232)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H38N6O4S/c1-3-20(2)29(40-34(43)44-19-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25)31(42)38-27(16-10-18-37-33(35)36)30(41)32-39-26-15-8-9-17-28(26)45-32/h4-9,11-15,17,20,25,27,29H,3,10,16,18-19H2,1-2H3,(H,38,42)(H,40,43)(H4,35,36,37)/t20-,27-,29-/m0/s1
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228n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518606
PNG
(CHEMBL4562668)
Show SMILES C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H32N6O4S/c1-18(35-31(40)41-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23)28(39)36-25(14-8-16-34-30(32)33)27(38)29-37-24-13-6-7-15-26(24)42-29/h2-7,9-13,15,18,23,25H,8,14,16-17H2,1H3,(H,35,40)(H,36,39)(H4,32,33,34)/t18-,25-/m0/s1
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240n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518608
PNG
(CHEMBL4561858)
Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H38N6O4S/c1-20(2)18-28(40-34(43)44-19-25-23-12-5-3-10-21(23)22-11-4-6-13-24(22)25)31(42)38-27(15-9-17-37-33(35)36)30(41)32-39-26-14-7-8-16-29(26)45-32/h3-8,10-14,16,20,25,27-28H,9,15,17-19H2,1-2H3,(H,38,42)(H,40,43)(H4,35,36,37)/t27-,28-/m0/s1
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253n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518601
PNG
(CHEMBL4460256)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C37H36N6O5S/c38-36(39)40-19-7-13-30(33(45)35-42-29-12-5-6-14-32(29)49-35)41-34(46)31(20-22-15-17-23(44)18-16-22)43-37(47)48-21-28-26-10-3-1-8-24(26)25-9-2-4-11-27(25)28/h1-6,8-12,14-18,28,30-31,44H,7,13,19-21H2,(H,41,46)(H,43,47)(H4,38,39,40)/t30-,31-/m0/s1
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256n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518600
PNG
(CHEMBL4455095)
Show SMILES C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H34N6O5S/c1-18(39)27(38-32(42)43-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23)29(41)36-25(14-8-16-35-31(33)34)28(40)30-37-24-13-6-7-15-26(24)44-30/h2-7,9-13,15,18,23,25,27,39H,8,14,16-17H2,1H3,(H,36,41)(H,38,42)(H4,33,34,35)/t18-,25+,27+/m1/s1
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271n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518610
PNG
(CHEMBL4528379)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C39H37N7O4S/c40-38(41)42-19-9-17-32(35(47)37-45-31-16-7-8-18-34(31)51-37)44-36(48)33(20-23-21-43-30-15-6-5-10-24(23)30)46-39(49)50-22-29-27-13-3-1-11-25(27)26-12-2-4-14-28(26)29/h1-8,10-16,18,21,29,32-33,43H,9,17,19-20,22H2,(H,44,48)(H,46,49)(H4,40,41,42)/t32-,33-/m0/s1
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294n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518602
PNG
(CHEMBL4462941)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C32H32N6O6S/c33-31(34)35-15-7-13-24(28(41)30-37-23-12-5-6-14-26(23)45-30)36-29(42)25(16-27(39)40)38-32(43)44-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24-25H,7,13,15-17H2,(H,36,42)(H,38,43)(H,39,40)(H4,33,34,35)/t24-,25-/m0/s1
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294n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518610
PNG
(CHEMBL4528379)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C39H37N7O4S/c40-38(41)42-19-9-17-32(35(47)37-45-31-16-7-8-18-34(31)51-37)44-36(48)33(20-23-21-43-30-15-6-5-10-24(23)30)46-39(49)50-22-29-27-13-3-1-11-25(27)26-12-2-4-14-28(26)29/h1-8,10-16,18,21,29,32-33,43H,9,17,19-20,22H2,(H,44,48)(H,46,49)(H4,40,41,42)/t32-,33-/m0/s1
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302n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518593
PNG
(CHEMBL4467638)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H34N6O6S/c34-32(35)36-17-7-13-25(29(42)31-38-24-12-5-6-14-27(24)46-31)37-30(43)26(15-16-28(40)41)39-33(44)45-18-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-6,8-12,14,23,25-26H,7,13,15-18H2,(H,37,43)(H,39,44)(H,40,41)(H4,34,35,36)/t25-,26-/m0/s1
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372n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518609
PNG
(CHEMBL4571215)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H34N6O4S/c34-32(35)36-17-7-14-26(29(40)31-38-25-13-5-6-16-28(25)44-31)37-30(41)27-15-8-18-39(27)33(42)43-19-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-6,9-13,16,24,26-27H,7-8,14-15,17-19H2,(H,37,41)(H4,34,35,36)/t26-,27-/m0/s1
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391n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50518608
PNG
(CHEMBL4561858)
Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H38N6O4S/c1-20(2)18-28(40-34(43)44-19-25-23-12-5-3-10-21(23)22-11-4-6-13-24(22)25)31(42)38-27(15-9-17-37-33(35)36)30(41)32-39-26-14-7-8-16-29(26)45-32/h3-8,10-14,16,20,25,27-28H,9,15,17-19H2,1-2H3,(H,38,42)(H,40,43)(H4,35,36,37)/t27-,28-/m0/s1
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468n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by flu...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50518594
PNG
(CHEMBL4445232)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C34H38N6O4S/c1-3-20(2)29(40-34(43)44-19-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25)31(42)38-27(16-10-18-37-33(35)36)30(41)32-39-26-15-8-9-17-28(26)45-32/h4-9,11-15,17,20,25,27,29H,3,10,16,18-19H2,1-2H3,(H,38,42)(H,40,43)(H4,35,36,37)/t20-,27-,29-/m0/s1
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486n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518603
PNG
(CHEMBL4472544)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H32N6O5S/c32-30(33)34-15-7-13-24(27(39)29-36-23-12-5-6-14-26(23)43-29)35-28(40)25(16-38)37-31(41)42-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24-25,38H,7,13,15-17H2,(H,35,40)(H,37,41)(H4,32,33,34)/t24-,25-/m0/s1
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555n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518592
PNG
(CHEMBL4528632)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C37H36N6O4S/c38-36(39)40-20-10-18-30(33(44)35-42-29-17-8-9-19-32(29)48-35)41-34(45)31(21-23-11-2-1-3-12-23)43-37(46)47-22-28-26-15-6-4-13-24(26)25-14-5-7-16-27(25)28/h1-9,11-17,19,28,30-31H,10,18,20-22H2,(H,41,45)(H,43,46)(H4,38,39,40)/t30-,31-/m0/s1
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764n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))
BDBM50518590
PNG
(CHEMBL4548036)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C30H30N6O4S/c31-29(32)33-15-7-13-24(27(38)28-36-23-12-5-6-14-25(23)41-28)35-26(37)16-34-30(39)40-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24H,7,13,15-17H2,(H,34,39)(H,35,37)(H4,31,32,33)/t24-/m0/s1
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831n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50518592
PNG
(CHEMBL4528632)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C37H36N6O4S/c38-36(39)40-20-10-18-30(33(44)35-42-29-17-8-9-19-32(29)48-35)41-34(45)31(21-23-11-2-1-3-12-23)43-37(46)47-22-28-26-15-6-4-13-24(26)25-14-5-7-16-27(25)28/h1-9,11-17,19,28,30-31H,10,18,20-22H2,(H,41,45)(H,43,46)(H4,38,39,40)/t30-,31-/m0/s1
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963n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by flu...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50518591
PNG
(CHEMBL4552828)
Show SMILES CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H36N6O4S2/c1-44-18-16-27(39-33(42)43-19-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24)30(41)37-26(14-8-17-36-32(34)35)29(40)31-38-25-13-6-7-15-28(25)45-31/h2-7,9-13,15,24,26-27H,8,14,16-19H2,1H3,(H,37,41)(H,39,42)(H4,34,35,36)/t26-,27-/m0/s1
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1.21E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by flu...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50518601
PNG
(CHEMBL4460256)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C37H36N6O5S/c38-36(39)40-19-7-13-30(33(45)35-42-29-12-5-6-14-32(29)49-35)41-34(46)31(20-22-15-17-23(44)18-16-22)43-37(47)48-21-28-26-10-3-1-8-24(26)25-9-2-4-11-27(25)28/h1-6,8-12,14-18,28,30-31,44H,7,13,19-21H2,(H,41,46)(H,43,47)(H4,38,39,40)/t30-,31-/m0/s1
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2.96E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by flu...


J Med Chem 62: 480-490 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN
More data for this
Ligand-Target Pair
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