Found 14 hits for monomerid = 50532398 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 |
|---|
Plasminogen
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin using Mes-DSer(Bzl)-Phe-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin using Mes-DSer(Bzl)-Phe-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Binding affinity to human plasmin assessed as slow binding constant in presence of Mes-DArg-Phe-Arg-AMC after 20 mins by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Binding affinity to human plasmin assessed as slow binding constant in presence of Mes-DArg-Phe-Arg-AMC after 20 mins by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Trypsin
(Sus scrofa) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of porcine trypsin using Mes-DArg-Gly-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Trypsin
(Sus scrofa) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of porcine trypsin using Mes-DArg-Gly-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 319 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 319 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human f10a using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human f10a using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Thrombin
(Bos taurus (Bovine)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of bovine thrombin using Tos-Gly-Pro-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Thrombin
(Bos taurus (Bovine)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of bovine thrombin using Tos-Gly-Pro-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human activated Protein C using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50532398
(CHEMBL4454130)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)| Show InChI InChI=1S/C40H52N10O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(53)34-22-27-8-14-31(15-9-27)44-36(51)25-49-18-20-50(21-19-49)26-37(52)45-32-16-10-28(11-17-32)23-35(40(54)46-34)48-57(55,56)47-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h6-17,33-35,47-48H,1-5,18-26H2,(H3,41,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human activated Protein C using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606 |
More data for this
Ligand-Target Pair | |
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