Found 17 hits in this display 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
(Bos taurus (Bovine)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50472505
(CHEMBL141782)Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(C)c(C)c2OC(C)(C)CCc2c1C)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Marburg
Curated by ChEMBL
| Assay Description Binding affinity towards thrombin |
J Med Chem 42: 458-77 (1999)
Article DOI: 10.1021/jm981062r BindingDB Entry DOI: 10.7270/Q21Z474S |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060039
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against trypsin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50472505
(CHEMBL141782)Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(C)c(C)c2OC(C)(C)CCc2c1C)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Marburg
Curated by ChEMBL
| Assay Description Binding affinity towards trypsin |
J Med Chem 42: 458-77 (1999)
Article DOI: 10.1021/jm981062r BindingDB Entry DOI: 10.7270/Q21Z474S |
More data for this Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50060039
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against trypsin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against Plasmin. |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50060039
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against plasmin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against coagulation factor X. |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against UK. |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50472505
(CHEMBL141782)Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(C)c(C)c2OC(C)(C)CCc2c1C)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Marburg
Curated by ChEMBL
| Assay Description Binding affinity towards Coagulation factor Xa |
J Med Chem 42: 458-77 (1999)
Article DOI: 10.1021/jm981062r BindingDB Entry DOI: 10.7270/Q21Z474S |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM50060039
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against coagulation factor X. |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against Kallikrein (PK) |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against Activated protein C |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against single-chain tissue-type plasminogen activator (sc-tissue plasminogen activator) |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor XII |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against glandular kallikrein (GK) |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |