Found 14 hits for monomerid = 50532394 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.430 | 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.430 | 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.520 | 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.520 | 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) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 351 | 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) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 351 | 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 | |
Thrombin
(Bos taurus (Bovine)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.13E+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 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.13E+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 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 | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.32E+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 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.32E+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 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 | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+5 | 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+5 | 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+5 | 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)) | BDBM50532394
(CHEMBL4553652)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.65,-31.51,;27.44,-32.83,;26.69,-34.18,;28.99,-32.8,;30.39,-32.77,;30.03,-34.03,;29.99,-31.53,;26.37,-21.81,;27.16,-23.14,;26.41,-24.48,;28.71,-23.1,;30.11,-23.08,;29.75,-24.34,;29.71,-21.84,;26.77,-26.97,;27.56,-28.29,;26.81,-29.64,;29.11,-28.26,;30.51,-28.23,;30.15,-29.49,;30.11,-26.99,;16.78,-18.49,;16.73,-20.01,;16.69,-21.94,;17.23,-23.78,;18.72,-23.35,;19.83,-24.42,;19.46,-25.92,;21.25,-27.4,;20.49,-28.74,;21.22,-30.1,;18.95,-28.69,;18.14,-30,;16.6,-29.96,;15.8,-31.25,;14.29,-31.2,;13.57,-29.88,;14.37,-28.59,;15.88,-28.62,;12.03,-29.84,;11.3,-28.48,;9.76,-28.44,;8.95,-29.76,;9.02,-27.09,;9.76,-25.62,;9.26,-24.18,;10.24,-23.04,;11.74,-23.32,;12.73,-22.17,;12.77,-20.65,;12.81,-19.14,;11.48,-19.85,;10.11,-20.59,;10.88,-21.92,;9.34,-21.91,;8.78,-19.82,;7.44,-20.59,;6.11,-19.82,;4.78,-20.58,;4.77,-22.13,;6.1,-22.9,;7.45,-22.13,;14.1,-19.93,;14.15,-18.41,;15.4,-20.73,;12.24,-24.74,;11.26,-25.89,;17.97,-26.35,;16.86,-25.28,;18.02,-20.8,;17.97,-22.32,;19.35,-20.09,;20.64,-20.88,;21.98,-20.17,;23.26,-20.97,;24.6,-20.25,;24.65,-18.73,;26,-18,;27.31,-18.81,;23.35,-17.93,;22.02,-18.65,)| Show InChI InChI=1S/C42H57N9O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(54)37-26-30-10-14-34(15-11-30)45-39(52)18-20-50-22-24-51(25-23-50)21-19-40(53)46-35-16-12-31(13-17-35)27-38(42(55)47-37)49-58(56,57)48-36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h6-17,36-38,48-49H,1-5,18-29,43H2,(H,44,54)(H,45,52)(H,46,53)(H,47,55);3*(H,6,7)/t37-,38+;;;/m0.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+5 | 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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