Found 12 hits for monomerid = 50532387 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)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | 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)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | 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 | |
Trypsin
(Sus scrofa) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 62 | 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) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 62 | 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)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 800 | 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)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 800 | 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)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.30E+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 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 | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.30E+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)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.30E+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 | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.30E+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 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)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.27E+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)) | BDBM50532387
(CHEMBL4476141)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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1 |r,wU:49.47,wD:22.18,(24.52,-31.64,;25.32,-32.96,;24.57,-34.31,;26.87,-32.93,;28.27,-32.91,;27.9,-34.16,;27.86,-31.66,;25.46,-27.14,;26.25,-28.46,;25.5,-29.81,;27.8,-28.43,;29.21,-28.41,;28.84,-29.67,;28.8,-27.16,;25.54,-22.14,;26.33,-23.47,;25.58,-24.81,;27.88,-23.43,;29.28,-23.41,;28.92,-24.67,;28.88,-22.17,;8.51,-20.69,;8.47,-22.2,;8.42,-23.72,;7.44,-24.88,;5.94,-24.59,;4.95,-25.74,;5.46,-27.17,;4.71,-28.65,;5.45,-30.01,;4.64,-31.32,;6.99,-30.05,;7.73,-31.4,;9.27,-31.44,;10.07,-30.15,;11.59,-30.19,;12.3,-31.52,;11.51,-32.82,;9.99,-32.77,;13.84,-31.57,;14.66,-30.26,;16.2,-30.3,;16.93,-31.66,;16.96,-28.96,;15.17,-27.48,;15.54,-25.98,;14.43,-24.91,;12.94,-25.33,;12.39,-23.49,;12.44,-21.56,;12.48,-20.04,;11.1,-22.28,;9.81,-21.48,;9.85,-19.96,;13.72,-22.35,;13.68,-23.87,;15.06,-21.64,;16.35,-22.43,;17.69,-21.72,;18.98,-22.52,;20.32,-21.8,;20.36,-20.28,;19.06,-19.49,;17.73,-20.21,;21.7,-19.56,;23,-20.36,;21.74,-18.04,;12.56,-26.83,;13.68,-27.91,;6.96,-27.45,;7.94,-26.3,;7.17,-21.4,;5.81,-22.14,;6.57,-23.47,;5.04,-23.47,;4.5,-21.33,;4.54,-19.79,;3.23,-18.98,;1.87,-19.72,;1.83,-21.27,;3.15,-22.07,)| Show InChI InChI=1S/C42H49N9O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(54)36-26-29-8-14-33(15-9-29)46-38(52)18-20-50-22-24-51(25-23-50)21-19-39(53)47-34-16-10-30(11-17-34)27-37(42(55)48-36)49-58(56,57)35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.27E+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 | |
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