Found 25 hits Enz. Inhib. hit(s) with Target = 'Prostasin' AND taxid = 9606 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prostasin
(Homo sapiens (Human)) | BDBM50246998
(CHEMBL505558 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccc(Cl)cc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H46ClN5O7/c44-32-21-18-31(19-22-32)27-54-33-25-37(40(51)46-35(16-9-10-24-45)39(50)41-47-34-15-7-8-17-38(34)56-41)49(26-33)42(52)36(23-20-29-11-3-1-4-12-29)48-43(53)55-28-30-13-5-2-6-14-30/h1-8,11-15,17-19,21-22,33,35-37H,9-10,16,20,23-28,45H2,(H,46,51)(H,48,53)/t33-,35+,36-,37+/m1/s1 | PDB
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| Article
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246999
(CHEMBL500474 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCC1CCCCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H53N5O7/c44-25-13-12-21-35(39(49)41-46-34-20-10-11-22-38(34)55-41)45-40(50)37-26-33(53-28-31-16-6-2-7-17-31)27-48(37)42(51)36(24-23-30-14-4-1-5-15-30)47-43(52)54-29-32-18-8-3-9-19-32/h1,3-5,8-11,14-15,18-20,22,31,33,35-37H,2,6-7,12-13,16-17,21,23-29,44H2,(H,45,50)(H,47,52)/t33-,35+,36-,37+/m1/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246997
(CHEMBL505738 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccc(F)cc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H46FN5O7/c44-32-21-18-31(19-22-32)27-54-33-25-37(40(51)46-35(16-9-10-24-45)39(50)41-47-34-15-7-8-17-38(34)56-41)49(26-33)42(52)36(23-20-29-11-3-1-4-12-29)48-43(53)55-28-30-13-5-2-6-14-30/h1-8,11-15,17-19,21-22,33,35-37H,9-10,16,20,23-28,45H2,(H,46,51)(H,48,53)/t33-,35+,36-,37+/m1/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246995
(CHEMBL505048 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccc(cc1)C(F)(F)F)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C44H46F3N5O7/c45-44(46,47)32-21-18-31(19-22-32)27-57-33-25-37(40(54)49-35(16-9-10-24-48)39(53)41-50-34-15-7-8-17-38(34)59-41)52(26-33)42(55)36(23-20-29-11-3-1-4-12-29)51-43(56)58-28-30-13-5-2-6-14-30/h1-8,11-15,17-19,21-22,33,35-37H,9-10,16,20,23-28,48H2,(H,49,54)(H,51,56)/t33-,35+,36-,37+/m1/s1 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50247004
((3R,5S)-5-(((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)N1CCCCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C42H50N6O8/c43-23-11-10-19-33(37(49)39-45-32-18-8-9-20-36(32)56-39)44-38(50)35-26-31(55-42(53)47-24-12-3-13-25-47)27-48(35)40(51)34(22-21-29-14-4-1-5-15-29)46-41(52)54-28-30-16-6-2-7-17-30/h1-2,4-9,14-18,20,31,33-35H,3,10-13,19,21-28,43H2,(H,44,50)(H,46,52)/t31-,33+,34-,35+/m1/s1 | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246992
(CHEMBL498914 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H47N5O7/c44-25-13-12-21-35(39(49)41-46-34-20-10-11-22-38(34)55-41)45-40(50)37-26-33(53-28-31-16-6-2-7-17-31)27-48(37)42(51)36(24-23-30-14-4-1-5-15-30)47-43(52)54-29-32-18-8-3-9-19-32/h1-11,14-20,22,33,35-37H,12-13,21,23-29,44H2,(H,45,50)(H,47,52)/t33-,35+,36-,37+/m1/s1 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246994
(CHEMBL443101 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCc1cccc(c1)C(F)(F)F)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C44H46F3N5O7/c45-44(46,47)32-17-11-16-31(24-32)28-57-33-25-37(40(54)49-35(19-9-10-23-48)39(53)41-50-34-18-7-8-20-38(34)59-41)52(26-33)42(55)36(22-21-29-12-3-1-4-13-29)51-43(56)58-27-30-14-5-2-6-15-30/h1-8,11-18,20,24,33,35-37H,9-10,19,21-23,25-28,48H2,(H,49,54)(H,51,56)/t33-,35+,36-,37+/m1/s1 | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246996
(CHEMBL506226 | {(R)-1-[(2S,4R)-2-[(S)-5-Amino-1-(b...)Show SMILES Cc1ccc(CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)c2nc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C44H49N5O7/c1-30-19-21-33(22-20-30)28-54-34-26-38(41(51)46-36(17-10-11-25-45)40(50)42-47-35-16-8-9-18-39(35)56-42)49(27-34)43(52)37(24-23-31-12-4-2-5-13-31)48-44(53)55-29-32-14-6-3-7-15-32/h2-9,12-16,18-22,34,36-38H,10-11,17,23-29,45H2,1H3,(H,46,51)(H,48,53)/t34-,36+,37-,38+/m1/s1 | PDB
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246991
(CHEMBL509770 | benzyl (R)-1-((2S,3S)-2-(((S)-6-ami...)Show SMILES C[C@H]1CCN([C@@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1)C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C37H43N5O6/c1-25-21-23-42(32(25)34(44)39-29(17-10-11-22-38)33(43)35-40-28-16-8-9-18-31(28)48-35)36(45)30(20-19-26-12-4-2-5-13-26)41-37(46)47-24-27-14-6-3-7-15-27/h2-9,12-16,18,25,29-30,32H,10-11,17,19-24,38H2,1H3,(H,39,44)(H,41,46)/t25-,29-,30+,32-/m0/s1 | PDB
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50247002
(((R)-1-{(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-c...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)NCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C44H48N6O8/c45-25-13-12-21-35(39(51)41-48-34-20-10-11-22-38(34)58-41)47-40(52)37-26-33(57-43(54)46-27-31-16-6-2-7-17-31)28-50(37)42(53)36(24-23-30-14-4-1-5-15-30)49-44(55)56-29-32-18-8-3-9-19-32/h1-11,14-20,22,33,35-37H,12-13,21,23-29,45H2,(H,46,54)(H,47,52)(H,49,55)/t33-,35+,36-,37+/m1/s1 | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50247000
(CHEMBL446259 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCC1CCCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C42H51N5O7/c43-24-12-11-20-34(38(48)40-45-33-19-9-10-21-37(33)54-40)44-39(49)36-25-32(52-27-30-17-7-8-18-30)26-47(36)41(50)35(23-22-29-13-3-1-4-14-29)46-42(51)53-28-31-15-5-2-6-16-31/h1-6,9-10,13-16,19,21,30,32,34-36H,7-8,11-12,17-18,20,22-28,43H2,(H,44,49)(H,46,51)/t32-,34+,35-,36+/m1/s1 | PDB
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50247005
((3R,5S)-5-(((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)N1CCCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C41H48N6O8/c42-22-10-9-18-32(36(48)38-44-31-17-7-8-19-35(31)55-38)43-37(49)34-25-30(54-41(52)46-23-11-12-24-46)26-47(34)39(50)33(21-20-28-13-3-1-4-14-28)45-40(51)53-27-29-15-5-2-6-16-29/h1-8,13-17,19,30,32-34H,9-12,18,20-27,42H2,(H,43,49)(H,45,51)/t30-,32+,33-,34+/m1/s1 | PDB
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| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50247001
(CHEMBL448873 | Phenyl-carbamic acid (3R,5S)-5-[(S)...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)Nc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H46N6O8/c44-25-13-12-21-34(38(50)40-47-33-20-10-11-22-37(33)57-40)46-39(51)36-26-32(56-43(54)45-31-18-8-3-9-19-31)27-49(36)41(52)35(24-23-29-14-4-1-5-15-29)48-42(53)55-28-30-16-6-2-7-17-30/h1-11,14-20,22,32,34-36H,12-13,21,23-28,44H2,(H,45,54)(H,46,51)(H,48,53)/t32-,34+,35-,36+/m1/s1 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50247003
(CHEMBL501945 | {(R)-1-[(2S,4R)-2-[(S)-5-Amino-1-(b...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)c2nc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C45H50N6O10S/c1-62(57,58)34-22-19-31(20-23-34)27-47-44(55)60-33-26-38(41(53)48-36(17-10-11-25-46)40(52)42-49-35-16-8-9-18-39(35)61-42)51(28-33)43(54)37(24-21-30-12-4-2-5-13-30)50-45(56)59-29-32-14-6-3-7-15-32/h2-9,12-16,18-20,22-23,33,36-38H,10-11,17,21,24-29,46H2,1H3,(H,47,55)(H,48,53)(H,50,56)/t33-,36+,37-,38+/m1/s1 | PDB
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| 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246990
(CHEMBL454436 | benzyl (R)-1-((2S,3R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C42H45N5O6/c43-26-13-12-21-34(38(48)40-45-33-20-10-11-22-36(33)53-40)44-39(49)37-32(31-18-8-3-9-19-31)25-27-47(37)41(50)35(24-23-29-14-4-1-5-15-29)46-42(51)52-28-30-16-6-2-7-17-30/h1-11,14-20,22,32,34-35,37H,12-13,21,23-28,43H2,(H,44,49)(H,46,51)/t32-,34+,35-,37+/m1/s1 | PDB
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PubMed
| 267 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50247006
((3R,5S)-5-((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-o...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C41H48N6O9/c42-20-10-9-16-32(36(48)38-44-31-15-7-8-17-35(31)56-38)43-37(49)34-25-30(55-41(52)46-21-23-53-24-22-46)26-47(34)39(50)33(19-18-28-11-3-1-4-12-28)45-40(51)54-27-29-13-5-2-6-14-29/h1-8,11-15,17,30,32-34H,9-10,16,18-27,42H2,(H,43,49)(H,45,51)/t30-,32+,33-,34+/m1/s1 | PDB
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| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246993
(CHEMBL507245 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C36H41N5O7/c37-20-10-9-16-28(32(43)34-39-27-15-7-8-17-31(27)48-34)38-33(44)30-21-26(42)22-41(30)35(45)29(19-18-24-11-3-1-4-12-24)40-36(46)47-23-25-13-5-2-6-14-25/h1-8,11-15,17,26,28-30,42H,9-10,16,18-23,37H2,(H,38,44)(H,40,46)/t26-,28+,29-,30+/m1/s1 | PDB
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| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246989
(CHEMBL501802 | benzyl (R)-1-((S)-2-(((S)-6-amino-1...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C36H41N5O6/c37-22-10-9-17-28(32(42)34-39-27-16-7-8-19-31(27)47-34)38-33(43)30-18-11-23-41(30)35(44)29(21-20-25-12-3-1-4-13-25)40-36(45)46-24-26-14-5-2-6-15-26/h1-8,12-16,19,28-30H,9-11,17-18,20-24,37H2,(H,38,43)(H,40,45)/t28-,29+,30-/m0/s1 | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50247007
(((R)-1-{(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-c...)Show SMILES CN(C)C(=O)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C39H46N6O8/c1-44(2)39(50)52-28-23-32(35(47)41-30(18-11-12-22-40)34(46)36-42-29-17-9-10-19-33(29)53-36)45(24-28)37(48)31(21-20-26-13-5-3-6-14-26)43-38(49)51-25-27-15-7-4-8-16-27/h3-10,13-17,19,28,30-32H,11-12,18,20-25,40H2,1-2H3,(H,41,47)(H,43,49)/t28-,30+,31-,32+/m1/s1 | PDB
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| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246988
(CHEMBL503925 | benzyl (S)-1-((S)-1-((S)-6-amino-1-...)Show SMILES NCCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C37H41N7O6/c38-20-10-9-16-29(33(45)36-43-28-15-7-8-17-32(28)50-36)41-34(46)30(19-18-25-11-3-1-4-12-25)42-35(47)31(21-27-22-39-24-40-27)44-37(48)49-23-26-13-5-2-6-14-26/h1-8,11-15,17,22,24,29-31H,9-10,16,18-21,23,38H2,(H,39,40)(H,41,46)(H,42,47)(H,44,48)/t29-,30-,31-/m0/s1 | PDB
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| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246986
(CHEMBL507205 | benzyl (S)-1-((S)-1-((S)-6-amino-1-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C33H41N7O6/c1-21(2)16-26(30(42)37-25(13-8-9-15-34)29(41)32-39-24-12-6-7-14-28(24)46-32)38-31(43)27(17-23-18-35-20-36-23)40-33(44)45-19-22-10-4-3-5-11-22/h3-7,10-12,14,18,20-21,25-27H,8-9,13,15-17,19,34H2,1-2H3,(H,35,36)(H,37,42)(H,38,43)(H,40,44)/t25-,26-,27-/m0/s1 | PDB
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| 5.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246987
(CHEMBL504394 | benzyl (S)-6-amino-1-((S)-1-((S)-6-...)Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C37H46N6O6/c38-23-11-9-18-29(33(44)36-42-28-17-7-8-20-32(28)49-36)40-35(46)31(22-21-26-13-3-1-4-14-26)41-34(45)30(19-10-12-24-39)43-37(47)48-25-27-15-5-2-6-16-27/h1-8,13-17,20,29-31H,9-12,18-19,21-25,38-39H2,(H,40,46)(H,41,45)(H,43,47)/t29-,30-,31-/m0/s1 | PDB
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| 5.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246985
(CHEMBL507704 | benzyl (S)-6-amino-1-((S)-1-((S)-6-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C33H46N6O6/c1-22(2)20-27(37-30(41)26(16-9-11-19-35)39-33(43)44-21-23-12-4-3-5-13-23)31(42)36-25(15-8-10-18-34)29(40)32-38-24-14-6-7-17-28(24)45-32/h3-7,12-14,17,22,25-27H,8-11,15-16,18-21,34-35H2,1-2H3,(H,36,42)(H,37,41)(H,39,43)/t25-,26-,27-/m0/s1 | PDB
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| 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246984
(CHEMBL508055 | benzyl (S)-1-((S)-6-amino-1-(benzo[...)Show SMILES NCCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C31H34N4O5/c32-20-10-9-16-25(28(36)30-34-24-15-7-8-17-27(24)40-30)33-29(37)26(19-18-22-11-3-1-4-12-22)35-31(38)39-21-23-13-5-2-6-14-23/h1-8,11-15,17,25-26H,9-10,16,18-21,32H2,(H,33,37)(H,35,38)/t25-,26-/m0/s1 | PDB
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PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
Prostasin
(Homo sapiens (Human)) | BDBM50246983
(CHEMBL509923 | benzyl (S)-1-((S)-6-amino-1-(benzo[...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C27H34N4O5/c1-18(2)16-22(31-27(34)35-17-19-10-4-3-5-11-19)25(33)29-21(13-8-9-15-28)24(32)26-30-20-12-6-7-14-23(20)36-26/h3-7,10-12,14,18,21-22H,8-9,13,15-17,28H2,1-2H3,(H,29,33)(H,31,34)/t21-,22-/m0/s1 | PDB
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PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to human prostasin |
Bioorg Med Chem Lett 18: 5895-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.029
BindingDB Entry DOI: 10.7270/Q2959HD4 |
More data for this
Ligand-Target Pair | |
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