Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50034878 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 |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50069922
(Boropeptide analogue | CHEMBL102069)Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16?,17-,18?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50069922
(Boropeptide analogue | CHEMBL102069)Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16?,17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289337
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C33H47BN6O5/c1-21(41)37-24(18-22-10-6-5-7-11-22)30(43)40-16-8-12-25(40)29(42)38-28(13-9-15-39-17-14-36-31(39)35)34-44-27-20-23-19-26(32(23,2)3)33(27,4)45-34/h5-7,10-11,14,17,23-28H,8-9,12-13,15-16,18-20H2,1-4H3,(H2,35,36)(H,37,41)(H,38,42)/t23?,24-,25+,26?,27-,28+,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289344
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:51:49:46:44,50:49:46:44,THB:40:41:46:44| Show InChI InChI=1S/C36H53BClN7O6S/c1-5-6-18-52(48,49)44-25(19-23-12-8-7-9-13-23)33(47)45-17-11-14-26(45)32(46)41-29(15-10-16-40-31-22-30(38)42-34(39)43-31)37-50-28-21-24-20-27(35(24,2)3)36(28,4)51-37/h7-9,12-13,22,24-29,44H,5-6,10-11,14-21H2,1-4H3,(H,41,46)(H3,39,40,42,43)/t24?,25-,26?,27?,28-,29+,36+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289346
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:48:46:43:41,47:46:43:41,THB:37:38:43:41| Show InChI InChI=1S/C35H53BN6O6S/c1-5-6-20-49(45,46)40-26(21-24-12-8-7-9-13-24)32(44)42-18-10-14-27(42)31(43)39-30(15-11-17-41-19-16-38-33(41)37)36-47-29-23-25-22-28(34(25,2)3)35(29,4)48-36/h7-9,12-13,16,19,25-30,40H,5-6,10-11,14-15,17-18,20-23H2,1-4H3,(H2,37,38)(H,39,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289343
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCSc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:49:47:44:42,48:47:44:42,THB:38:39:44:42| Show InChI InChI=1S/C36H52BN5O6S2/c1-5-6-21-50(45,46)41-27(22-25-13-8-7-9-14-25)33(44)42-19-10-15-28(42)32(43)40-31(16-11-20-49-34-38-17-12-18-39-34)37-47-30-24-26-23-29(35(26,2)3)36(30,4)48-37/h7-9,12-14,17-18,26-31,41H,5-6,10-11,15-16,19-24H2,1-4H3,(H,40,43)/t26?,27-,28?,29?,30-,31+,36+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50069922
(Boropeptide analogue | CHEMBL102069)Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16?,17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289345
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:50:48:45:43,49:48:45:43,THB:39:40:45:43| Show InChI InChI=1S/C35H51BN6O8S/c1-5-6-20-51(47,48)39-26(21-24-12-8-7-9-13-24)32(44)41-18-10-14-27(41)31(43)38-30(15-11-17-40-19-16-37-33(40)42(45)46)36-49-29-23-25-22-28(34(25,2)3)35(29,4)50-36/h7-9,12-13,16,19,25-30,39H,5-6,10-11,14-15,17-18,20-23H2,1-4H3,(H,38,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289337
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C33H47BN6O5/c1-21(41)37-24(18-22-10-6-5-7-11-22)30(43)40-16-8-12-25(40)29(42)38-28(13-9-15-39-17-14-36-31(39)35)34-44-27-20-23-19-26(32(23,2)3)33(27,4)45-34/h5-7,10-11,14,17,23-28H,8-9,12-13,15-16,18-20H2,1-4H3,(H2,35,36)(H,37,41)(H,38,42)/t23?,24-,25+,26?,27-,28+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289348
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:43:41:38:36,42:41:38:36,THB:32:33:38:36| Show InChI InChI=1S/C33H46BN5O5/c1-22(40)36-25(18-23-10-6-5-7-11-23)31(42)39-16-8-12-26(39)30(41)37-29(13-9-15-38-17-14-35-21-38)34-43-28-20-24-19-27(32(24,2)3)33(28,4)44-34/h5-7,10-11,14,17,21,24-29H,8-9,12-13,15-16,18-20H2,1-4H3,(H,36,40)(H,37,41)/t24?,25-,26?,27?,28-,29+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289346
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:48:46:43:41,47:46:43:41,THB:37:38:43:41| Show InChI InChI=1S/C35H53BN6O6S/c1-5-6-20-49(45,46)40-26(21-24-12-8-7-9-13-24)32(44)42-18-10-14-27(42)31(43)39-30(15-11-17-41-19-16-38-33(41)37)36-47-29-23-25-22-28(34(25,2)3)35(29,4)48-36/h7-9,12-13,16,19,25-30,40H,5-6,10-11,14-15,17-18,20-23H2,1-4H3,(H2,37,38)(H,39,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289347
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:46:45:42:40,47:45:42:40,THB:36:37:42:40| Show InChI InChI=1S/C34H47BClN7O5/c1-20(44)39-23(16-21-10-6-5-7-11-21)31(46)43-15-9-12-24(43)30(45)40-27(13-8-14-38-29-19-28(36)41-32(37)42-29)35-47-26-18-22-17-25(33(22,2)3)34(26,4)48-35/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,39,44)(H,40,45)(H3,37,38,41,42)/t22?,23-,24?,25?,26-,27+,34+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289348
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:43:41:38:36,42:41:38:36,THB:32:33:38:36| Show InChI InChI=1S/C33H46BN5O5/c1-22(40)36-25(18-23-10-6-5-7-11-23)31(42)39-16-8-12-26(39)30(41)37-29(13-9-15-38-17-14-35-21-38)34-43-28-20-24-19-27(32(24,2)3)33(28,4)44-34/h5-7,10-11,14,17,21,24-29H,8-9,12-13,15-16,18-20H2,1-4H3,(H,36,40)(H,37,41)/t24?,25-,26?,27?,28-,29+,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289349
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ccnc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:46:44:41:39,45:44:41:39,THB:35:36:41:39| Show InChI InChI=1S/C34H48BN7O5/c1-21(43)39-24(18-22-10-6-5-7-11-22)31(45)42-17-9-12-25(42)30(44)40-28(13-8-15-37-29-14-16-38-32(36)41-29)35-46-27-20-23-19-26(33(23,2)3)34(27,4)47-35/h5-7,10-11,14,16,23-28H,8-9,12-13,15,17-20H2,1-4H3,(H,39,43)(H,40,44)(H3,36,37,38,41)/t23?,24-,25?,26?,27-,28+,34+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289334
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ncnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:44:41:39,46:44:41:39,THB:35:36:41:39| Show InChI InChI=1S/C32H44BN7O7/c1-20(41)36-23(16-21-10-6-5-7-11-21)29(43)38-14-8-12-24(38)28(42)37-27(13-9-15-39-30(40(44)45)34-19-35-39)33-46-26-18-22-17-25(31(22,2)3)32(26,4)47-33/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,36,41)(H,37,42)/t22?,23-,24?,25?,26-,27+,32+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289344
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:51:49:46:44,50:49:46:44,THB:40:41:46:44| Show InChI InChI=1S/C36H53BClN7O6S/c1-5-6-18-52(48,49)44-25(19-23-12-8-7-9-13-23)33(47)45-17-11-14-26(45)32(46)41-29(15-10-16-40-31-22-30(38)42-34(39)43-31)37-50-28-21-24-20-27(35(24,2)3)36(28,4)51-37/h7-9,12-13,22,24-29,44H,5-6,10-11,14-21H2,1-4H3,(H,41,46)(H3,39,40,42,43)/t24?,25-,26?,27?,28-,29+,36+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289339
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ccccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38| Show InChI InChI=1S/C35H48BN5O5/c1-23(42)39-26(20-24-12-6-5-7-13-24)33(44)41-19-11-14-27(41)32(43)40-30(15-10-18-38-31-16-8-9-17-37-31)36-45-29-22-25-21-28(34(25,2)3)35(29,4)46-36/h5-9,12-13,16-17,25-30H,10-11,14-15,18-22H2,1-4H3,(H,37,38)(H,39,42)(H,40,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289338
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1nnnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C31H45BN8O5/c1-19(41)34-22(16-20-10-6-5-7-11-20)28(43)39-14-8-12-23(39)27(42)35-26(13-9-15-40-29(33)36-37-38-40)32-44-25-18-21-17-24(30(21,2)3)31(25,4)45-32/h5-7,10-11,21-26H,8-9,12-18H2,1-4H3,(H,34,41)(H,35,42)(H2,33,36,38)/t21?,22-,23?,24?,25-,26+,31+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289341
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ncnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C32H46BN7O5/c1-20(41)37-23(16-21-10-6-5-7-11-21)29(43)39-14-8-12-24(39)28(42)38-27(13-9-15-40-30(34)35-19-36-40)33-44-26-18-22-17-25(31(22,2)3)32(26,4)45-33/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,37,41)(H,38,42)(H2,34,35,36)/t22?,23-,24?,25?,26-,27+,32+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 507 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289336
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38| Show InChI InChI=1S/C34H47BN6O5/c1-22(42)39-25(19-23-11-6-5-7-12-23)31(44)41-18-9-13-26(41)30(43)40-29(14-8-15-36-32-37-16-10-17-38-32)35-45-28-21-24-20-27(33(24,2)3)34(28,4)46-35/h5-7,10-12,16-17,24-29H,8-9,13-15,18-21H2,1-4H3,(H,39,42)(H,40,43)(H,36,37,38)/t24?,25-,26?,27?,28-,29+,34+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289342
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:44:41:39,46:44:41:39,THB:35:36:41:39| Show InChI InChI=1S/C33H45BN6O7/c1-21(41)36-24(18-22-10-6-5-7-11-22)30(43)39-16-8-12-25(39)29(42)37-28(13-9-15-38-17-14-35-31(38)40(44)45)34-46-27-20-23-19-26(32(23,2)3)33(27,4)47-34/h5-7,10-11,14,17,23-28H,8-9,12-13,15-16,18-20H2,1-4H3,(H,36,41)(H,37,42)/t23?,24-,25?,26?,27-,28+,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289346
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:48:46:43:41,47:46:43:41,THB:37:38:43:41| Show InChI InChI=1S/C35H53BN6O6S/c1-5-6-20-49(45,46)40-26(21-24-12-8-7-9-13-24)32(44)42-18-10-14-27(42)31(43)39-30(15-11-17-41-19-16-38-33(41)37)36-47-29-23-25-22-28(34(25,2)3)35(29,4)48-36/h7-9,12-13,16,19,25-30,40H,5-6,10-11,14-15,17-18,20-23H2,1-4H3,(H2,37,38)(H,39,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289347
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:46:45:42:40,47:45:42:40,THB:36:37:42:40| Show InChI InChI=1S/C34H47BClN7O5/c1-20(44)39-23(16-21-10-6-5-7-11-21)31(46)43-15-9-12-24(43)30(45)40-27(13-8-14-38-29-19-28(36)41-32(37)42-29)35-47-26-18-22-17-25(33(22,2)3)34(26,4)48-35/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,39,44)(H,40,45)(H3,37,38,41,42)/t22?,23-,24?,25?,26-,27+,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289334
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ncnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:44:41:39,46:44:41:39,THB:35:36:41:39| Show InChI InChI=1S/C32H44BN7O7/c1-20(41)36-23(16-21-10-6-5-7-11-21)29(43)38-14-8-12-24(38)28(42)37-27(13-9-15-39-30(40(44)45)34-19-35-39)33-46-26-18-22-17-25(31(22,2)3)32(26,4)47-33/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,36,41)(H,37,42)/t22?,23-,24?,25?,26-,27+,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289338
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1nnnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C31H45BN8O5/c1-19(41)34-22(16-20-10-6-5-7-11-20)28(43)39-14-8-12-23(39)27(42)35-26(13-9-15-40-29(33)36-37-38-40)32-44-25-18-21-17-24(30(21,2)3)31(25,4)45-32/h5-7,10-11,21-26H,8-9,12-18H2,1-4H3,(H,34,41)(H,35,42)(H2,33,36,38)/t21?,22-,23?,24?,25-,26+,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289336
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38| Show InChI InChI=1S/C34H47BN6O5/c1-22(42)39-25(19-23-11-6-5-7-12-23)31(44)41-18-9-13-26(41)30(43)40-29(14-8-15-36-32-37-16-10-17-38-32)35-45-28-21-24-20-27(33(24,2)3)34(28,4)46-35/h5-7,10-12,16-17,24-29H,8-9,13-15,18-21H2,1-4H3,(H,39,42)(H,40,43)(H,36,37,38)/t24?,25-,26?,27?,28-,29+,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289341
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ncnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C32H46BN7O5/c1-20(41)37-23(16-21-10-6-5-7-11-21)29(43)39-14-8-12-24(39)28(42)38-27(13-9-15-40-30(34)35-19-36-40)33-44-26-18-22-17-25(31(22,2)3)32(26,4)45-33/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,37,41)(H,38,42)(H2,34,35,36)/t22?,23-,24?,25?,26-,27+,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289342
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:44:41:39,46:44:41:39,THB:35:36:41:39| Show InChI InChI=1S/C33H45BN6O7/c1-21(41)36-24(18-22-10-6-5-7-11-22)30(43)39-16-8-12-25(39)29(42)37-28(13-9-15-38-17-14-35-31(38)40(44)45)34-46-27-20-23-19-26(32(23,2)3)33(27,4)47-34/h5-7,10-11,14,17,23-28H,8-9,12-13,15-16,18-20H2,1-4H3,(H,36,41)(H,37,42)/t23?,24-,25?,26?,27-,28+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289339
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ccccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38| Show InChI InChI=1S/C35H48BN5O5/c1-23(42)39-26(20-24-12-6-5-7-13-24)33(44)41-19-11-14-27(41)32(43)40-30(15-10-18-38-31-16-8-9-17-37-31)36-45-29-22-25-21-28(34(25,2)3)35(29,4)46-36/h5-9,12-13,16-17,25-30H,10-11,14-15,18-22H2,1-4H3,(H,37,38)(H,39,42)(H,40,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
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| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289345
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:50:48:45:43,49:48:45:43,THB:39:40:45:43| Show InChI InChI=1S/C35H51BN6O8S/c1-5-6-20-51(47,48)39-26(21-24-12-8-7-9-13-24)32(44)41-18-10-14-27(41)31(43)38-30(15-11-17-40-19-16-37-33(40)42(45)46)36-49-29-23-25-22-28(34(25,2)3)35(29,4)50-36/h7-9,12-13,16,19,25-30,39H,5-6,10-11,14-15,17-18,20-23H2,1-4H3,(H,38,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| PC cid
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UniChem
Similars
| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289335
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCSc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38| Show InChI InChI=1S/C34H46BN5O5S/c1-22(41)38-25(19-23-11-6-5-7-12-23)31(43)40-17-8-13-26(40)30(42)39-29(14-9-18-46-32-36-15-10-16-37-32)35-44-28-21-24-20-27(33(24,2)3)34(28,4)45-35/h5-7,10-12,15-16,24-29H,8-9,13-14,17-21H2,1-4H3,(H,38,41)(H,39,42)/t24?,25-,26?,27?,28-,29+,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
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UniChem
Similars
| Article
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289335
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCSc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38| Show InChI InChI=1S/C34H46BN5O5S/c1-22(41)38-25(19-23-11-6-5-7-12-23)31(43)40-17-8-13-26(40)30(42)39-29(14-9-18-46-32-36-15-10-16-37-32)35-44-28-21-24-20-27(33(24,2)3)34(28,4)45-35/h5-7,10-12,15-16,24-29H,8-9,13-14,17-21H2,1-4H3,(H,38,41)(H,39,42)/t24?,25-,26?,27?,28-,29+,34+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289338
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1nnnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C31H45BN8O5/c1-19(41)34-22(16-20-10-6-5-7-11-20)28(43)39-14-8-12-23(39)27(42)35-26(13-9-15-40-29(33)36-37-38-40)32-44-25-18-21-17-24(30(21,2)3)31(25,4)45-32/h5-7,10-11,21-26H,8-9,12-18H2,1-4H3,(H,34,41)(H,35,42)(H2,33,36,38)/t21?,22-,23?,24?,25-,26+,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289347
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:46:45:42:40,47:45:42:40,THB:36:37:42:40| Show InChI InChI=1S/C34H47BClN7O5/c1-20(44)39-23(16-21-10-6-5-7-11-21)31(46)43-15-9-12-24(43)30(45)40-27(13-8-14-38-29-19-28(36)41-32(37)42-29)35-47-26-18-22-17-25(33(22,2)3)34(26,4)48-35/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,39,44)(H,40,45)(H3,37,38,41,42)/t22?,23-,24?,25?,26-,27+,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289345
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:50:48:45:43,49:48:45:43,THB:39:40:45:43| Show InChI InChI=1S/C35H51BN6O8S/c1-5-6-20-51(47,48)39-26(21-24-12-8-7-9-13-24)32(44)41-18-10-14-27(41)31(43)38-30(15-11-17-40-19-16-37-33(40)42(45)46)36-49-29-23-25-22-28(34(25,2)3)35(29,4)50-36/h7-9,12-13,16,19,25-30,39H,5-6,10-11,14-15,17-18,20-23H2,1-4H3,(H,38,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289344
((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1cc(Cl)nc(N)n1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:51:49:46:44,50:49:46:44,THB:40:41:46:44| Show InChI InChI=1S/C36H53BClN7O6S/c1-5-6-18-52(48,49)44-25(19-23-12-8-7-9-13-23)33(47)45-17-11-14-26(45)32(46)41-29(15-10-16-40-31-22-30(38)42-34(39)43-31)37-50-28-21-24-20-27(35(24,2)3)36(28,4)51-37/h7-9,12-13,22,24-29,44H,5-6,10-11,14-21H2,1-4H3,(H,41,46)(H3,39,40,42,43)/t24?,25-,26?,27?,28-,29+,36+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289341
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ncnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C32H46BN7O5/c1-20(41)37-23(16-21-10-6-5-7-11-21)29(43)39-14-8-12-24(39)28(42)38-27(13-9-15-40-30(34)35-19-36-40)33-44-26-18-22-17-25(31(22,2)3)32(26,4)45-33/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,37,41)(H,38,42)(H2,34,35,36)/t22?,23-,24?,25?,26-,27+,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289342
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:44:41:39,46:44:41:39,THB:35:36:41:39| Show InChI InChI=1S/C33H45BN6O7/c1-21(41)36-24(18-22-10-6-5-7-11-22)30(43)39-16-8-12-25(39)29(42)37-28(13-9-15-38-17-14-35-31(38)40(44)45)34-46-27-20-23-19-26(32(23,2)3)33(27,4)47-34/h5-7,10-11,14,17,23-28H,8-9,12-13,15-16,18-20H2,1-4H3,(H,36,41)(H,37,42)/t23?,24-,25?,26?,27-,28+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289339
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ccccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38| Show InChI InChI=1S/C35H48BN5O5/c1-23(42)39-26(20-24-12-6-5-7-13-24)33(44)41-19-11-14-27(41)32(43)40-30(15-10-18-38-31-16-8-9-17-37-31)36-45-29-22-25-21-28(34(25,2)3)35(29,4)46-36/h5-9,12-13,16-17,25-30H,10-11,14-15,18-22H2,1-4H3,(H,37,38)(H,39,42)(H,40,43)/t25?,26-,27?,28?,29-,30+,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289334
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ncnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:44:41:39,46:44:41:39,THB:35:36:41:39| Show InChI InChI=1S/C32H44BN7O7/c1-20(41)36-23(16-21-10-6-5-7-11-21)29(43)38-14-8-12-24(38)28(42)37-27(13-9-15-39-30(40(44)45)34-19-35-39)33-46-26-18-22-17-25(31(22,2)3)32(26,4)47-33/h5-7,10-11,19,22-27H,8-9,12-18H2,1-4H3,(H,36,41)(H,37,42)/t22?,23-,24?,25?,26-,27+,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289336
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38| Show InChI InChI=1S/C34H47BN6O5/c1-22(42)39-25(19-23-11-6-5-7-12-23)31(44)41-18-9-13-26(41)30(43)40-29(14-8-15-36-32-37-16-10-17-38-32)35-45-28-21-24-20-27(33(24,2)3)34(28,4)46-35/h5-7,10-12,16-17,24-29H,8-9,13-15,18-21H2,1-4H3,(H,39,42)(H,40,43)(H,36,37,38)/t24?,25-,26?,27?,28-,29+,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289348
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:43:41:38:36,42:41:38:36,THB:32:33:38:36| Show InChI InChI=1S/C33H46BN5O5/c1-22(40)36-25(18-23-10-6-5-7-11-23)31(42)39-16-8-12-26(39)30(41)37-29(13-9-15-38-17-14-35-21-38)34-43-28-20-24-19-27(32(24,2)3)33(28,4)44-34/h5-7,10-11,14,17,21,24-29H,8-9,12-13,15-16,18-20H2,1-4H3,(H,36,40)(H,37,41)/t24?,25-,26?,27?,28-,29+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50289337
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:44:42:39:37,43:42:39:37,THB:33:34:39:37| Show InChI InChI=1S/C33H47BN6O5/c1-21(41)37-24(18-22-10-6-5-7-11-22)30(43)40-16-8-12-25(40)29(42)38-28(13-9-15-39-17-14-36-31(39)35)34-44-27-20-23-19-26(32(23,2)3)33(27,4)45-34/h5-7,10-11,14,17,23-28H,8-9,12-13,15-16,18-20H2,1-4H3,(H2,35,36)(H,37,41)(H,38,42)/t23?,24-,25+,26?,27-,28+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against Coagulation factor X |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
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