Found 12 hits for monomerid = 50532397 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)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | 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)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | 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) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 561 | 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) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 561 | 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)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.87E+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 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)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.87E+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 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)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.29E+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)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.29E+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 | |
Thrombin
(Bos taurus (Bovine)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
UniProtKB/SwissProt
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 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 | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../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 | |
Thrombin
(Bos taurus (Bovine)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../s1 | PDB
UniProtKB/SwissProt
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 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 | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50532397
(CHEMBL4476627)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)NC=O |r,wU:49.47,wD:22.18,(22.95,-24.3,;23.75,-25.64,;23,-27,;25.32,-25.61,;26.74,-25.59,;26.37,-26.85,;26.33,-24.33,;27.58,-20.32,;28.38,-21.66,;27.63,-23.02,;29.95,-21.62,;31.37,-21.6,;31,-22.87,;30.96,-20.34,;22.33,-19.99,;23.13,-21.33,;22.37,-22.69,;24.7,-21.29,;26.11,-21.27,;25.75,-22.54,;25.7,-20.01,;10.54,-14.86,;10.5,-16.39,;10.45,-17.92,;9.45,-19.09,;7.94,-18.8,;6.94,-19.96,;7.46,-21.41,;6.7,-22.9,;7.45,-24.27,;6.63,-25.6,;9.01,-24.31,;9.75,-25.68,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;15.93,-25.85,;16.74,-24.52,;18.3,-24.57,;19.04,-25.94,;19.07,-23.21,;17.26,-21.71,;17.64,-20.2,;16.51,-19.12,;15.01,-19.55,;14.46,-17.69,;14.5,-15.74,;14.55,-14.2,;13.15,-16.46,;11.85,-15.66,;11.89,-14.13,;15.8,-16.54,;15.76,-18.08,;17.15,-15.82,;18.46,-16.62,;19.81,-15.9,;21.11,-16.71,;22.46,-15.98,;22.51,-14.45,;21.2,-13.65,;19.85,-14.38,;23.86,-13.72,;25.17,-14.52,;23.9,-12.18,;14.63,-21.06,;15.76,-22.15,;8.97,-21.69,;9.96,-20.52,;9.19,-15.58,;7.82,-16.32,;6.49,-15.51,)| Show InChI InChI=1S/C37H45N9O5.3C2HF3O2/c38-35(39)28-7-1-27(2-8-28)23-40-36(50)32-22-26-5-11-30(12-6-26)43-34(49)14-16-46-19-17-45(18-20-46)15-13-33(48)42-29-9-3-25(4-10-29)21-31(41-24-47)37(51)44-32;3*3-2(4,5)1(6)7/h1-12,24,31-32H,13-23H2,(H3,38,39)(H,40,50)(H,41,47)(H,42,48)(H,43,49)(H,44,51);3*(H,6,7)/t31-,32+;;;/m1.../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 | |
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