Found 425 hits of ki data for polymerid = 10193,2203 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50420334
(CHEMBL2086421)Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tight binding inhibition of human matriptase expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior... |
ACS Med Chem Lett 3: 530-534 (2012)
Article DOI: 10.1021/ml3000534
BindingDB Entry DOI: 10.7270/Q2DN469X |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein [596-855]
(Homo sapiens (Human)) | BDBM236490
(US9365853, 1)Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15+,17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0110 | -14.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
TBA
US Patent
| Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti... |
US Patent US9365853 (2016)
BindingDB Entry DOI: 10.7270/Q28W3C6F |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50063698
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24) | PDB
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay |
Bioorg Med Chem 23: 2328-43 (2015)
Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50063698
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24) | PDB
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PC cid
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| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 5: 1219-24 (2014)
Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032696
(CHEMBL3354674)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C29H44N12O5S/c30-16(6-3-13-36-28(32)33)24(44)39-19(11-12-22(31)42)27(46)41-15-5-9-20(41)25(45)38-18(8-4-14-37-29(34)35)23(43)26-40-17-7-1-2-10-21(17)47-26/h1-2,7,10,16,18-20H,3-6,8-9,11-15,30H2,(H2,31,42)(H,38,45)(H,39,44)(H4,32,33,36)(H4,34,35,37)/t16-,18-,19-,20-/m0/s1 | PDB
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| 0.0610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104907
(US8569313, Inhibitor 15)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1 |c:39| Show InChI InChI=1S/C28H39N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-6,15,17,19,23,25,34H,7-14,16,18,29H2,(H2,30,33)(H3,31,32) | PDB
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| PC cid
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| US Patent
| 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50017931
(CHEMBL3289302)Show SMILES NCCC1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1 |r,c:39| Show InChI InChI=1S/C28H39N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-6,15,17,19,23,25,34H,7-14,16,18,29H2,(H2,30,33)(H3,31,32)/t23?,25-/m1/s1 | PDB
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| Article
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50253952
(3-{(S)-3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-[3-(...)Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1 |r,c:39| Show InChI InChI=1S/C28H39N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-6,15,17,19,23,25,34H,7-14,16,18,29H2,(H2,30,33)(H3,31,32)/t23?,25-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 67-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.019
BindingDB Entry DOI: 10.7270/Q2HH6JXF |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50420336
(CHEMBL2089123)Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1 | PDB
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PC cid
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UniChem
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| Article
PubMed
| 0.0880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tight binding inhibition of human matriptase expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior... |
ACS Med Chem Lett 3: 530-534 (2012)
Article DOI: 10.1021/ml3000534
BindingDB Entry DOI: 10.7270/Q2DN469X |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein [596-855]
(Homo sapiens (Human)) | BDBM236493
(US10988505, Comparative #2 | US9365853, 4)Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| 0.0880 | -13.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
TBA
US Patent
| Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti... |
US Patent US9365853 (2016)
BindingDB Entry DOI: 10.7270/Q28W3C6F |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032702
(CHEMBL3352840)Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C24H35N9O6S/c1-12(30-22(39)16(8-9-18(26)35)32-21(38)13(25)11-34)20(37)31-15(6-4-10-29-24(27)28)19(36)23-33-14-5-2-3-7-17(14)40-23/h2-3,5,7,12-13,15-16,34H,4,6,8-11,25H2,1H3,(H2,26,35)(H,30,39)(H,31,37)(H,32,38)(H4,27,28,29)/t12-,13-,15-,16-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50518590
(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 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50032699
(CHEMBL3354677)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C31H43N11O5S/c1-17(26(45)40-22(8-5-15-38-31(35)36)25(44)29-42-21-7-2-3-9-24(21)48-29)39-28(47)23(16-18-10-12-19(43)13-11-18)41-27(46)20(32)6-4-14-37-30(33)34/h2-3,7,9-13,17,20,22-23,43H,4-6,8,14-16,32H2,1H3,(H,39,47)(H,40,45)(H,41,46)(H4,33,34,37)(H4,35,36,38)/t17-,20-,22-,23-/m0/s1 | PDB
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| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032701
(CHEMBL3354679)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H41N9O5S/c1-14(2)13-16(28)24(40)35-19(10-11-21(29)37)25(41)33-15(3)23(39)34-18(8-6-12-32-27(30)31)22(38)26-36-17-7-4-5-9-20(17)42-26/h4-5,7,9,14-16,18-19H,6,8,10-13,28H2,1-3H3,(H2,29,37)(H,33,41)(H,34,39)(H,35,40)(H4,30,31,32)/t15-,16-,18-,19-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032697
(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 | PDB
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| CHEMBL
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| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50032697
(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 | PDB
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| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50518597
(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 | PDB
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| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50032698
(CHEMBL3354676 | N-0130)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1 | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032931
(CHEMBL3356594)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C28H48N12O6S/c1-15(2)14-20(25(46)38-17(6-4-10-35-27(30)31)22(43)26-34-12-13-47-26)40-24(45)19(8-9-21(29)42)39-23(44)18(37-16(3)41)7-5-11-36-28(32)33/h12-13,15,17-20H,4-11,14H2,1-3H3,(H2,29,42)(H,37,41)(H,38,46)(H,39,44)(H,40,45)(H4,30,31,35)(H4,32,33,36)/t17-,18-,19-,20-/m0/s1 | PDB
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 5: 1219-24 (2014)
Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50518606
(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 | PDB
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| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50032705
(CHEMBL3354682)Show SMILES C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C26H40N10O5S/c1-14(33-24(41)18(13-20(29)37)35-23(40)15(28)7-4-5-11-27)22(39)34-17(9-6-12-32-26(30)31)21(38)25-36-16-8-2-3-10-19(16)42-25/h2-3,8,10,14-15,17-18H,4-7,9,11-13,27-28H2,1H3,(H2,29,37)(H,33,41)(H,34,39)(H,35,40)(H4,30,31,32)/t14-,15-,17-,18-/m0/s1 | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104930
(US8569313, Inhibitor 47)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1 |r,c:43| Show InChI InChI=1S/C31H43N7O4S/c1-35-29(39)10-3-5-21-13-15-38(16-14-21)31(40)27(18-22-6-2-8-24(17-22)30(33)34)37-43(41,42)26-9-4-7-23(19-26)25-11-12-28(32)36-20-25/h2,4,6-9,17,19,21,25,27,37H,3,5,10-16,18,20H2,1H3,(H2,32,36)(H3,33,34)(H,35,39)/t25?,27-/m0/s1 | PDB
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| US Patent
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50518609
(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 | PDB
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| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| PC cid
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| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50032933
(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 | PDB
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| Article
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| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 5: 1219-24 (2014)
Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104931
(US8569313, Inhibitor 48)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H38N6O6S/c33-15-12-29(39)36-26-10-5-11-27(20-26)45(42,43)37-28(19-23-8-4-9-25(18-23)30(34)35)31(40)38-16-13-24(14-17-38)32(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,24,28,37H,12-17,19,21,33H2,(H3,34,35)(H,36,39)/t28-/m0/s1 | PDB
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| US Patent
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50592224
(CHEMBL5193920)Show SMILES CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1cccc(c1)C(N)=N |r| | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114437
BindingDB Entry DOI: 10.7270/Q2KD22W8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032700
(CHEMBL3354678)Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C28H46N14O4S/c1-15(39-24(46)19(10-6-14-38-28(34)35)41-23(45)16(29)7-4-12-36-26(30)31)22(44)40-18(9-5-13-37-27(32)33)21(43)25-42-17-8-2-3-11-20(17)47-25/h2-3,8,11,15-16,18-19H,4-7,9-10,12-14,29H2,1H3,(H,39,46)(H,40,44)(H,41,45)(H4,30,31,36)(H4,32,33,37)(H4,34,35,38)/t15-,16-,18-,19-/m0/s1 | PDB
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| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104908
(CHEMBL468270 | US8569313, Inhibitor 16)Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1 | PDB
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| US Patent
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50592225
(CHEMBL5207279)Show SMILES CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(N)=N |r| | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114437
BindingDB Entry DOI: 10.7270/Q2KD22W8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032947
(CHEMBL3356606)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(8-4-5-11-30)40-24(44)20(38-18(3)42)10-7-13-37-29(33)34/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/m0/s1 | PDB
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| Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 5: 1219-24 (2014)
Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032710
(CHEMBL3354687)Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C31H43N9O5S/c1-18(37-29(45)24(8-4-5-15-32)39-28(44)21(33)17-19-11-13-20(41)14-12-19)27(43)38-23(9-6-16-36-31(34)35)26(42)30-40-22-7-2-3-10-25(22)46-30/h2-3,7,10-14,18,21,23-24,41H,4-6,8-9,15-17,32-33H2,1H3,(H,37,45)(H,38,43)(H,39,44)(H4,34,35,36)/t18-,21-,23-,24-/m0/s1 | PDB
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| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032704
(CHEMBL3354681)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C28H42N12O5S/c29-15(6-3-11-35-27(31)32)23(43)38-18(14-21(30)41)26(45)40-13-5-9-19(40)24(44)37-17(8-4-12-36-28(33)34)22(42)25-39-16-7-1-2-10-20(16)46-25/h1-2,7,10,15,17-19H,3-6,8-9,11-14,29H2,(H2,30,41)(H,37,44)(H,38,43)(H4,31,32,35)(H4,33,34,36)/t15-,17-,18-,19-/m0/s1 | PDB
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| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032936
(CHEMBL3356589)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)c1nccs1 |r| Show InChI InChI=1S/C28H48N10O6S/c1-16(2)15-21(26(44)36-18(8-6-12-34-28(31)32)23(41)27-33-13-14-45-27)38-25(43)20(9-10-22(30)40)37-24(42)19(35-17(3)39)7-4-5-11-29/h13-14,16,18-21H,4-12,15,29H2,1-3H3,(H2,30,40)(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H4,31,32,34)/t18-,19-,20-,21-/m0/s1 | PDB
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| Article
PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 5: 1219-24 (2014)
Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50421510
(CHEMBL239127)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46+,47-,48-,51-,52-,53-/m0/s1 | PDB
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| PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Matriptase from human breast cancer cells |
Bioorg Med Chem Lett 11: 2515-9 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8M0Q |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50017916
(CHEMBL3289038)Show SMILES N[C@H]1CC[C@@H](CC1)OC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(22.46,-8.49,;21.13,-7.72,;21.13,-6.18,;19.8,-5.41,;18.46,-6.18,;18.46,-7.72,;19.8,-8.49,;17.13,-5.41,;15.8,-6.18,;15.8,-7.72,;14.46,-5.41,;14.46,-3.87,;13.13,-3.1,;13.13,-1.56,;14.46,-.79,;14.46,.75,;15.8,1.52,;17.13,.75,;17.13,-.79,;15.8,-1.56,;18.46,1.52,;19.8,.75,;18.46,3.06,;11.79,-3.87,;11.79,-5.41,;10.46,-6.18,;9.13,-5.41,;7.79,-6.18,;6.46,-5.41,;6.46,-3.87,;7.79,-3.1,;9.13,-3.87,;5.13,-3.1,;3.79,-3.87,;5.13,-1.56,;13.13,-6.18,)| Show InChI InChI=1S/C27H29N5O4/c28-19-5-11-22(12-6-19)36-27(33)18-13-23(34-20-7-1-16(2-8-20)25(29)30)15-24(14-18)35-21-9-3-17(4-10-21)26(31)32/h1-4,7-10,13-15,19,22H,5-6,11-12,28H2,(H3,29,30)(H3,31,32)/t19-,22- | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50592222
(CHEMBL5180135)Show SMILES CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1cccc(CN)c1 |r| | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114437
BindingDB Entry DOI: 10.7270/Q2KD22W8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104908
(CHEMBL468270 | US8569313, Inhibitor 16)Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 67-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.019
BindingDB Entry DOI: 10.7270/Q2HH6JXF |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032991
(CHEMBL3356596)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(10-7-13-37-29(33)34)40-24(44)20(38-18(3)42)8-4-5-11-30/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/m0/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 5: 1219-24 (2014)
Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50512105
(CHEMBL4587327)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C36H57N11O6S/c1-5-24(42-21(4)48)32(51)45-27(8-6-14-37)33(52)46-28(18-20(2)3)34(53)44-26(9-7-15-41-36(38)39)30(49)35-47-25-11-10-22(19-29(25)54-35)31(50)43-23-12-16-40-17-13-23/h10-11,19-20,23-24,26-28,40H,5-9,12-18,37H2,1-4H3,(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H4,38,39,41)/t24-,26-,27-,28-/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human matriptase preincubated for 30 mins followed by Boc-QLR-AMC substrate addition by fluorescence assay |
Eur J Med Chem 170: 237-260 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.024
BindingDB Entry DOI: 10.7270/Q2X92FNR |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein [596-855]
(Homo sapiens (Human)) | BDBM236494
(US9365853, 5)Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C18H24N6O3S/c1-10(22-11(2)25)16(27)23-13(7-5-9-21-18(19)20)15(26)17-24-12-6-3-4-8-14(12)28-17/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,22,25)(H,23,27)(H4,19,20,21)/t10-,13-/m0/s1 | PDB
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| 1.40 | -12.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
TBA
US Patent
| Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti... |
US Patent US9365853 (2016)
BindingDB Entry DOI: 10.7270/Q28W3C6F |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032709
(CHEMBL3354686)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C28H45N11O5S/c1-15(2)13-19(37-23(42)16(29)7-5-11-34-27(30)31)24(43)38-20(14-40)25(44)36-18(9-6-12-35-28(32)33)22(41)26-39-17-8-3-4-10-21(17)45-26/h3-4,8,10,15-16,18-20,40H,5-7,9,11-14,29H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t16-,18-,19-,20-/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis |
J Med Chem 57: 10198-204 (2014)
Article DOI: 10.1021/jm5015633
BindingDB Entry DOI: 10.7270/Q2DJ5H73 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50420337
(CHEMBL2089124)Show SMILES [#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C16H22N6O2S/c1-9(17)14(24)21-11(6-4-8-20-16(18)19)13(23)15-22-10-5-2-3-7-12(10)25-15/h2-3,5,7,9,11H,4,6,8,17H2,1H3,(H,21,24)(H4,18,19,20)/t9-,11-/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tight binding inhibition of human matriptase expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior... |
ACS Med Chem Lett 3: 530-534 (2012)
Article DOI: 10.1021/ml3000534
BindingDB Entry DOI: 10.7270/Q2DN469X |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM23921
(3-amidinophenylalanine deriv., 63 | 3-amino-N-(3-{...)Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C28H41N9O4S/c29-12-9-25(38)35-22-7-2-8-23(18-22)42(40,41)36-24(17-20-4-1-6-21(16-20)26(30)31)27(39)37-14-10-19(11-15-37)5-3-13-34-28(32)33/h1-2,4,6-8,16,18-19,24,36H,3,5,9-15,17,29H2,(H3,30,31)(H,35,38)(H4,32,33,34)/t24-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Chemistry GmbH
| Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af... |
J Med Chem 49: 4116-26 (2006)
Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50254410
(3-{(S)-3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-[3-(...)Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(N)nc1 |r| Show InChI InChI=1S/C28H35N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-8,15,17-19,25,34H,9-14,16,29H2,(H2,30,33)(H3,31,32)/t25-/m0/s1 | PDB
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 67-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.019
BindingDB Entry DOI: 10.7270/Q2HH6JXF |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50254219
(Azetidine-3-carboxylic acid {3-[(S)-2-[4-(2-amino-...)Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)C2CNC2)c1 |r| Show InChI InChI=1S/C27H37N7O4S/c28-10-7-18-8-11-34(12-9-18)27(36)24(14-19-3-1-4-20(13-19)25(29)30)33-39(37,38)23-6-2-5-22(15-23)32-26(35)21-16-31-17-21/h1-6,13,15,18,21,24,31,33H,7-12,14,16-17,28H2,(H3,29,30)(H,32,35)/t24-/m0/s1 | PDB
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Patents
Similars
| US Patent
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM23916
(3-amidinophenylalanine deriv., 12 | 3-amino-N-(3-{...)Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H39N9O4S/c28-11-7-24(37)34-21-5-2-6-22(17-21)41(39,40)35-23(16-19-3-1-4-20(15-19)25(29)30)26(38)36-13-9-18(10-14-36)8-12-33-27(31)32/h1-6,15,17-18,23,35H,7-14,16,28H2,(H3,29,30)(H,34,37)(H4,31,32,33)/t23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM23916
(3-amidinophenylalanine deriv., 12 | 3-amino-N-(3-{...)Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H39N9O4S/c28-11-7-24(37)34-21-5-2-6-22(17-21)41(39,40)35-23(16-19-3-1-4-20(15-19)25(29)30)26(38)36-13-9-18(10-14-36)8-12-33-27(31)32/h1-6,15,17-18,23,35H,7-14,16,28H2,(H3,29,30)(H,34,37)(H4,31,32,33)/t23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Chemistry GmbH
| Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af... |
J Med Chem 49: 4116-26 (2006)
Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64 |
More data for this
Ligand-Target Pair | |
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