Found 1838 hits with Last Name = 'wu' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50514081
(CHEMBL4471466)Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0190 | 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 S2302 as substrate by spectrophotometric method |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50514081
(CHEMBL4471466)Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0190 | 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 S2302 as substrate by spectrophotometric method |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532389
(CHEMBL4458743)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)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)| Show InChI InChI=1S/C42H56N10O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56);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
| 0.130 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532389
(CHEMBL4458743)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)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)| Show InChI InChI=1S/C42H56N10O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56);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
| 0.130 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532389
(CHEMBL4458743)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)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)| Show InChI InChI=1S/C42H56N10O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56);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
| 0.150 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532389
(CHEMBL4458743)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)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)| Show InChI InChI=1S/C42H56N10O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56);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
| 0.150 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532391
(CHEMBL4591922)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)CCCC |r,wU:49.47,wD:22.18,(25.66,-27.36,;26.46,-28.69,;25.7,-30.05,;28.02,-28.66,;29.44,-28.63,;29.07,-29.9,;29.03,-27.38,;25.74,-22.32,;26.54,-23.65,;25.78,-25.01,;28.1,-23.62,;29.52,-23.6,;29.15,-24.86,;29.11,-22.34,;26.34,-32.07,;27.14,-33.4,;26.39,-34.77,;28.71,-33.37,;30.12,-33.35,;29.75,-34.62,;29.71,-32.1,;11.88,-20.61,;11.84,-22.13,;11.79,-23.66,;10.8,-24.83,;9.29,-24.54,;8.29,-25.7,;8.8,-27.15,;8.05,-28.63,;8.79,-30,;7.98,-31.33,;10.35,-30.04,;11.09,-31.41,;12.65,-31.45,;13.45,-30.14,;14.98,-30.18,;15.7,-31.53,;14.9,-32.83,;13.37,-32.78,;17.26,-31.58,;18.07,-30.25,;19.63,-30.3,;20.37,-31.67,;20.4,-28.94,;18.59,-27.45,;18.96,-25.94,;17.84,-24.86,;16.34,-25.29,;15.79,-23.43,;15.84,-21.49,;15.88,-19.96,;14.49,-22.21,;13.18,-21.41,;13.23,-19.88,;17.13,-22.29,;17.09,-23.82,;18.48,-21.57,;19.78,-22.37,;21.13,-21.64,;22.43,-22.46,;23.78,-21.73,;23.83,-20.2,;22.52,-19.4,;21.17,-20.13,;25.17,-19.48,;26.48,-20.27,;25.22,-17.93,;15.97,-26.8,;17.09,-27.89,;10.32,-27.42,;11.3,-26.26,;10.53,-21.33,;9.16,-22.07,;9.93,-23.41,;8.38,-23.41,;7.84,-21.26,;6.47,-22,;5.14,-21.18,;3.77,-21.92,)| Show InChI InChI=1S/C40H53N9O6S.3C2HF3O2/c1-2-3-24-56(54,55)47-35-26-29-8-14-33(15-9-29)45-37(51)17-19-49-22-20-48(21-23-49)18-16-36(50)44-32-12-6-28(7-13-32)25-34(46-40(35)53)39(52)43-27-30-4-10-31(11-5-30)38(41)42;3*3-2(4,5)1(6)7/h4-15,34-35,47H,2-3,16-27H2,1H3,(H3,41,42)(H,43,52)(H,44,50)(H,45,51)(H,46,53);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
| 0.450 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532391
(CHEMBL4591922)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)CCCC |r,wU:49.47,wD:22.18,(25.66,-27.36,;26.46,-28.69,;25.7,-30.05,;28.02,-28.66,;29.44,-28.63,;29.07,-29.9,;29.03,-27.38,;25.74,-22.32,;26.54,-23.65,;25.78,-25.01,;28.1,-23.62,;29.52,-23.6,;29.15,-24.86,;29.11,-22.34,;26.34,-32.07,;27.14,-33.4,;26.39,-34.77,;28.71,-33.37,;30.12,-33.35,;29.75,-34.62,;29.71,-32.1,;11.88,-20.61,;11.84,-22.13,;11.79,-23.66,;10.8,-24.83,;9.29,-24.54,;8.29,-25.7,;8.8,-27.15,;8.05,-28.63,;8.79,-30,;7.98,-31.33,;10.35,-30.04,;11.09,-31.41,;12.65,-31.45,;13.45,-30.14,;14.98,-30.18,;15.7,-31.53,;14.9,-32.83,;13.37,-32.78,;17.26,-31.58,;18.07,-30.25,;19.63,-30.3,;20.37,-31.67,;20.4,-28.94,;18.59,-27.45,;18.96,-25.94,;17.84,-24.86,;16.34,-25.29,;15.79,-23.43,;15.84,-21.49,;15.88,-19.96,;14.49,-22.21,;13.18,-21.41,;13.23,-19.88,;17.13,-22.29,;17.09,-23.82,;18.48,-21.57,;19.78,-22.37,;21.13,-21.64,;22.43,-22.46,;23.78,-21.73,;23.83,-20.2,;22.52,-19.4,;21.17,-20.13,;25.17,-19.48,;26.48,-20.27,;25.22,-17.93,;15.97,-26.8,;17.09,-27.89,;10.32,-27.42,;11.3,-26.26,;10.53,-21.33,;9.16,-22.07,;9.93,-23.41,;8.38,-23.41,;7.84,-21.26,;6.47,-22,;5.14,-21.18,;3.77,-21.92,)| Show InChI InChI=1S/C40H53N9O6S.3C2HF3O2/c1-2-3-24-56(54,55)47-35-26-29-8-14-33(15-9-29)45-37(51)17-19-49-22-20-48(21-23-49)18-16-36(50)44-32-12-6-28(7-13-32)25-34(46-40(35)53)39(52)43-27-30-4-10-31(11-5-30)38(41)42;3*3-2(4,5)1(6)7/h4-15,34-35,47H,2-3,16-27H2,1H3,(H3,41,42)(H,43,52)(H,44,50)(H,45,51)(H,46,53);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
| 0.450 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50514081
(CHEMBL4471466)Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.460 | 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 activated Protein C (unknown origin) |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50514081
(CHEMBL4471466)Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.460 | 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 activated Protein C (unknown origin) |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532383
(CHEMBL4571212)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)c1ccccc1 |r,wU:47.45,wD:22.18,(25.74,-27.44,;26.54,-28.78,;25.78,-30.14,;28.11,-28.75,;29.53,-28.72,;29.16,-29.99,;29.12,-27.47,;25.82,-22.39,;26.62,-23.73,;25.86,-25.09,;28.19,-23.69,;29.61,-23.67,;29.24,-24.94,;29.2,-22.41,;26.43,-32.17,;27.23,-33.51,;26.47,-34.87,;28.8,-33.48,;30.22,-33.45,;29.85,-34.72,;29.81,-32.2,;11.04,-20.93,;11.04,-22.46,;11.04,-23.99,;9.95,-25.08,;8.46,-24.66,;7.37,-25.74,;7.76,-27.22,;6.89,-28.65,;7.55,-30.89,;6.11,-31.45,;8.74,-31.86,;10.28,-31.86,;11.04,-30.52,;12.58,-30.52,;13.34,-31.85,;12.58,-33.18,;11.04,-33.17,;14.87,-31.85,;16.1,-30.93,;17.51,-31.53,;16.53,-29.23,;16.31,-27.73,;14.8,-27.35,;14.36,-25.85,;15.45,-24.72,;14.85,-23.32,;15.03,-21.69,;15.03,-20.15,;13.7,-22.46,;12.37,-21.69,;12.37,-20.15,;16.36,-22.46,;16.36,-23.99,;17.69,-21.69,;19.02,-22.46,;20.35,-21.69,;21.68,-22.47,;23.01,-21.7,;23.01,-20.17,;21.67,-19.4,;20.34,-20.17,;24.34,-19.4,;25.67,-20.16,;24.33,-17.85,;16.97,-25.1,;17.41,-26.59,;9.25,-27.63,;10.33,-26.55,;9.71,-21.69,;9.71,-20.13,;10.11,-18.61,;11.22,-19.72,;8.35,-19.35,;8.36,-17.8,;7.01,-17.02,;5.65,-17.8,;5.66,-19.37,;7.01,-20.14,)| Show InChI InChI=1S/C40H45N9O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(52)34-22-27-8-14-31(15-9-27)44-36(50)25-48-18-20-49(21-19-48)26-37(51)45-32-16-10-28(11-17-32)23-35(40(53)46-34)47-56(54,55)33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h1-17,34-35,47H,18-26H2,(H3,41,42)(H,43,52)(H,44,50)(H,45,51)(H,46,53);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
| 0.510 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532383
(CHEMBL4571212)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)c1ccccc1 |r,wU:47.45,wD:22.18,(25.74,-27.44,;26.54,-28.78,;25.78,-30.14,;28.11,-28.75,;29.53,-28.72,;29.16,-29.99,;29.12,-27.47,;25.82,-22.39,;26.62,-23.73,;25.86,-25.09,;28.19,-23.69,;29.61,-23.67,;29.24,-24.94,;29.2,-22.41,;26.43,-32.17,;27.23,-33.51,;26.47,-34.87,;28.8,-33.48,;30.22,-33.45,;29.85,-34.72,;29.81,-32.2,;11.04,-20.93,;11.04,-22.46,;11.04,-23.99,;9.95,-25.08,;8.46,-24.66,;7.37,-25.74,;7.76,-27.22,;6.89,-28.65,;7.55,-30.89,;6.11,-31.45,;8.74,-31.86,;10.28,-31.86,;11.04,-30.52,;12.58,-30.52,;13.34,-31.85,;12.58,-33.18,;11.04,-33.17,;14.87,-31.85,;16.1,-30.93,;17.51,-31.53,;16.53,-29.23,;16.31,-27.73,;14.8,-27.35,;14.36,-25.85,;15.45,-24.72,;14.85,-23.32,;15.03,-21.69,;15.03,-20.15,;13.7,-22.46,;12.37,-21.69,;12.37,-20.15,;16.36,-22.46,;16.36,-23.99,;17.69,-21.69,;19.02,-22.46,;20.35,-21.69,;21.68,-22.47,;23.01,-21.7,;23.01,-20.17,;21.67,-19.4,;20.34,-20.17,;24.34,-19.4,;25.67,-20.16,;24.33,-17.85,;16.97,-25.1,;17.41,-26.59,;9.25,-27.63,;10.33,-26.55,;9.71,-21.69,;9.71,-20.13,;10.11,-18.61,;11.22,-19.72,;8.35,-19.35,;8.36,-17.8,;7.01,-17.02,;5.65,-17.8,;5.66,-19.37,;7.01,-20.14,)| Show InChI InChI=1S/C40H45N9O6S.3C2HF3O2/c41-38(42)30-12-6-29(7-13-30)24-43-39(52)34-22-27-8-14-31(15-9-27)44-36(50)25-48-18-20-49(21-19-48)26-37(51)45-32-16-10-28(11-17-32)23-35(40(53)46-34)47-56(54,55)33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h1-17,34-35,47H,18-26H2,(H3,41,42)(H,43,52)(H,44,50)(H,45,51)(H,46,53);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
| 0.510 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532384
(CHEMBL4560508)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)c4ccccc4)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,;8.78,-18.27,;7.44,-17.5,;6.1,-18.27,;6.11,-19.83,;7.45,-20.59,;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/C42H50N8O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(53)37-26-30-10-14-34(15-11-30)45-39(51)18-20-49-22-24-50(25-23-49)21-19-40(52)46-35-16-12-31(13-17-35)27-38(42(54)47-37)48-57(55,56)36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h1-17,37-38,48H,18-29,43H2,(H,44,53)(H,45,51)(H,46,52)(H,47,54);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
| 0.540 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532384
(CHEMBL4560508)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)c4ccccc4)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,;8.78,-18.27,;7.44,-17.5,;6.1,-18.27,;6.11,-19.83,;7.45,-20.59,;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/C42H50N8O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(53)37-26-30-10-14-34(15-11-30)45-39(51)18-20-49-22-24-50(25-23-49)21-19-40(52)46-35-16-12-31(13-17-35)27-38(42(54)47-37)48-57(55,56)36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h1-17,37-38,48H,18-29,43H2,(H,44,53)(H,45,51)(H,46,52)(H,47,54);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
| 0.540 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532384
(CHEMBL4560508)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)c4ccccc4)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,;8.78,-18.27,;7.44,-17.5,;6.1,-18.27,;6.11,-19.83,;7.45,-20.59,;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/C42H50N8O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(53)37-26-30-10-14-34(15-11-30)45-39(51)18-20-49-22-24-50(25-23-49)21-19-40(52)46-35-16-12-31(13-17-35)27-38(42(54)47-37)48-57(55,56)36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h1-17,37-38,48H,18-29,43H2,(H,44,53)(H,45,51)(H,46,52)(H,47,54);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
| 0.560 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532384
(CHEMBL4560508)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)c4ccccc4)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,;8.78,-18.27,;7.44,-17.5,;6.1,-18.27,;6.11,-19.83,;7.45,-20.59,;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/C42H50N8O6S.3C2HF3O2/c43-28-32-6-8-33(9-7-32)29-44-41(53)37-26-30-10-14-34(15-11-30)45-39(51)18-20-49-22-24-50(25-23-49)21-19-40(52)46-35-16-12-31(13-17-35)27-38(42(54)47-37)48-57(55,56)36-4-2-1-3-5-36;3*3-2(4,5)1(6)7/h1-17,37-38,48H,18-29,43H2,(H,44,53)(H,45,51)(H,46,52)(H,47,54);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
| 0.560 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM34143
(CHEMBL175835 | E-6837)Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12 Show InChI InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532406
(CHEMBL4545331)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)OCc1ccccc1 |r,wU:49.47,wD:22.18,(28.26,-22.28,;29.05,-23.61,;28.3,-24.96,;30.6,-23.57,;32.01,-23.55,;31.64,-24.81,;31.6,-22.31,;22.31,-21.79,;23.1,-23.12,;22.35,-24.46,;24.65,-23.08,;26.06,-23.06,;25.69,-24.32,;25.65,-21.82,;23.44,-28.1,;24.23,-29.42,;23.48,-30.77,;25.78,-29.39,;27.19,-29.37,;26.82,-30.63,;26.78,-28.12,;8.28,-19.98,;8.23,-21.49,;8.19,-23.01,;7.2,-24.17,;5.7,-23.88,;4.72,-25.03,;5.22,-26.46,;4.48,-27.94,;5.22,-29.3,;4.41,-30.61,;6.76,-29.34,;7.5,-30.69,;9.04,-30.74,;9.83,-29.44,;11.35,-29.48,;12.07,-30.81,;11.27,-32.11,;9.76,-32.06,;13.61,-30.86,;14.42,-29.55,;15.97,-29.59,;16.7,-30.95,;16.73,-28.25,;14.94,-26.77,;15.3,-25.27,;14.19,-24.2,;12.71,-24.63,;12.16,-22.78,;12.2,-20.85,;12.25,-19.33,;10.87,-21.57,;9.57,-20.77,;9.62,-19.25,;13.49,-21.65,;13.44,-23.17,;14.83,-20.93,;16.12,-21.72,;17.46,-21.01,;18.75,-21.81,;20.09,-21.09,;20.13,-19.57,;18.83,-18.78,;17.5,-19.5,;21.47,-18.86,;22.76,-19.65,;21.51,-17.33,;12.33,-26.12,;13.44,-27.2,;6.73,-26.74,;7.7,-25.59,;6.94,-20.7,;5.58,-21.43,;5.54,-22.97,;4.27,-20.62,;4.31,-19.08,;2.99,-18.27,;3.03,-16.73,;1.72,-15.92,;.36,-16.66,;.32,-18.21,;1.64,-19.01,)| Show InChI InChI=1S/C44H51N9O6.3C2HF3O2/c45-41(46)34-12-6-32(7-13-34)28-47-42(56)37-26-30-8-14-35(15-9-30)48-39(54)18-20-52-22-24-53(25-23-52)21-19-40(55)49-36-16-10-31(11-17-36)27-38(43(57)50-37)51-44(58)59-29-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h1-17,37-38H,18-29H2,(H3,45,46)(H,47,56)(H,48,54)(H,49,55)(H,50,57)(H,51,58);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
| 0.770 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532401
(CHEMBL4515955)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])(NC(=O)OC)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:22.18,wD:49.47,(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,;14.55,-14.2,;14.5,-15.74,;14.46,-17.69,;15.01,-19.55,;16.51,-19.12,;17.64,-20.2,;17.26,-21.71,;19.07,-23.21,;18.3,-24.57,;19.04,-25.94,;16.74,-24.52,;15.93,-25.85,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;9.75,-25.68,;9.01,-24.31,;7.45,-24.27,;6.63,-25.6,;6.7,-22.9,;7.46,-21.41,;6.94,-19.96,;7.94,-18.8,;9.45,-19.09,;10.45,-17.92,;10.5,-16.39,;10.54,-14.86,;9.19,-15.58,;7.82,-16.32,;7.78,-17.88,;6.49,-15.51,;6.53,-13.95,;11.85,-15.66,;11.89,-14.13,;13.15,-16.46,;9.96,-20.52,;8.97,-21.69,;15.76,-22.15,;14.63,-21.06,;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,)| Show InChI InChI=1S/C38H47N9O6.3C2HF3O2/c1-53-38(52)45-32-23-26-6-12-30(13-7-26)43-34(49)15-17-47-20-18-46(19-21-47)16-14-33(48)42-29-10-4-25(5-11-29)22-31(44-37(32)51)36(50)41-24-27-2-8-28(9-3-27)35(39)40;3*3-2(4,5)1(6)7/h2-13,31-32H,14-24H2,1H3,(H3,39,40)(H,41,50)(H,42,48)(H,43,49)(H,44,51)(H,45,52);3*(H,6,7)/t31-,32+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.770 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532401
(CHEMBL4515955)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])(NC(=O)OC)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:22.18,wD:49.47,(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,;14.55,-14.2,;14.5,-15.74,;14.46,-17.69,;15.01,-19.55,;16.51,-19.12,;17.64,-20.2,;17.26,-21.71,;19.07,-23.21,;18.3,-24.57,;19.04,-25.94,;16.74,-24.52,;15.93,-25.85,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;9.75,-25.68,;9.01,-24.31,;7.45,-24.27,;6.63,-25.6,;6.7,-22.9,;7.46,-21.41,;6.94,-19.96,;7.94,-18.8,;9.45,-19.09,;10.45,-17.92,;10.5,-16.39,;10.54,-14.86,;9.19,-15.58,;7.82,-16.32,;7.78,-17.88,;6.49,-15.51,;6.53,-13.95,;11.85,-15.66,;11.89,-14.13,;13.15,-16.46,;9.96,-20.52,;8.97,-21.69,;15.76,-22.15,;14.63,-21.06,;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,)| Show InChI InChI=1S/C38H47N9O6.3C2HF3O2/c1-53-38(52)45-32-23-26-6-12-30(13-7-26)43-34(49)15-17-47-20-18-46(19-21-47)16-14-33(48)42-29-10-4-25(5-11-29)22-31(44-37(32)51)36(50)41-24-27-2-8-28(9-3-27)35(39)40;3*3-2(4,5)1(6)7/h2-13,31-32H,14-24H2,1H3,(H3,39,40)(H,41,50)(H,42,48)(H,43,49)(H,44,51)(H,45,52);3*(H,6,7)/t31-,32+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.770 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532406
(CHEMBL4545331)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)OCc1ccccc1 |r,wU:49.47,wD:22.18,(28.26,-22.28,;29.05,-23.61,;28.3,-24.96,;30.6,-23.57,;32.01,-23.55,;31.64,-24.81,;31.6,-22.31,;22.31,-21.79,;23.1,-23.12,;22.35,-24.46,;24.65,-23.08,;26.06,-23.06,;25.69,-24.32,;25.65,-21.82,;23.44,-28.1,;24.23,-29.42,;23.48,-30.77,;25.78,-29.39,;27.19,-29.37,;26.82,-30.63,;26.78,-28.12,;8.28,-19.98,;8.23,-21.49,;8.19,-23.01,;7.2,-24.17,;5.7,-23.88,;4.72,-25.03,;5.22,-26.46,;4.48,-27.94,;5.22,-29.3,;4.41,-30.61,;6.76,-29.34,;7.5,-30.69,;9.04,-30.74,;9.83,-29.44,;11.35,-29.48,;12.07,-30.81,;11.27,-32.11,;9.76,-32.06,;13.61,-30.86,;14.42,-29.55,;15.97,-29.59,;16.7,-30.95,;16.73,-28.25,;14.94,-26.77,;15.3,-25.27,;14.19,-24.2,;12.71,-24.63,;12.16,-22.78,;12.2,-20.85,;12.25,-19.33,;10.87,-21.57,;9.57,-20.77,;9.62,-19.25,;13.49,-21.65,;13.44,-23.17,;14.83,-20.93,;16.12,-21.72,;17.46,-21.01,;18.75,-21.81,;20.09,-21.09,;20.13,-19.57,;18.83,-18.78,;17.5,-19.5,;21.47,-18.86,;22.76,-19.65,;21.51,-17.33,;12.33,-26.12,;13.44,-27.2,;6.73,-26.74,;7.7,-25.59,;6.94,-20.7,;5.58,-21.43,;5.54,-22.97,;4.27,-20.62,;4.31,-19.08,;2.99,-18.27,;3.03,-16.73,;1.72,-15.92,;.36,-16.66,;.32,-18.21,;1.64,-19.01,)| Show InChI InChI=1S/C44H51N9O6.3C2HF3O2/c45-41(46)34-12-6-32(7-13-34)28-47-42(56)37-26-30-8-14-35(15-9-30)48-39(54)18-20-52-22-24-53(25-23-52)21-19-40(55)49-36-16-10-31(11-17-36)27-38(43(57)50-37)51-44(58)59-29-33-4-2-1-3-5-33;3*3-2(4,5)1(6)7/h1-17,37-38H,18-29H2,(H3,45,46)(H,47,56)(H,48,54)(H,49,55)(H,50,57)(H,51,58);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
| 0.770 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532401
(CHEMBL4515955)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])(NC(=O)OC)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:22.18,wD:49.47,(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,;14.55,-14.2,;14.5,-15.74,;14.46,-17.69,;15.01,-19.55,;16.51,-19.12,;17.64,-20.2,;17.26,-21.71,;19.07,-23.21,;18.3,-24.57,;19.04,-25.94,;16.74,-24.52,;15.93,-25.85,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;9.75,-25.68,;9.01,-24.31,;7.45,-24.27,;6.63,-25.6,;6.7,-22.9,;7.46,-21.41,;6.94,-19.96,;7.94,-18.8,;9.45,-19.09,;10.45,-17.92,;10.5,-16.39,;10.54,-14.86,;9.19,-15.58,;7.82,-16.32,;7.78,-17.88,;6.49,-15.51,;6.53,-13.95,;11.85,-15.66,;11.89,-14.13,;13.15,-16.46,;9.96,-20.52,;8.97,-21.69,;15.76,-22.15,;14.63,-21.06,;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,)| Show InChI InChI=1S/C38H47N9O6.3C2HF3O2/c1-53-38(52)45-32-23-26-6-12-30(13-7-26)43-34(49)15-17-47-20-18-46(19-21-47)16-14-33(48)42-29-10-4-25(5-11-29)22-31(44-37(32)51)36(50)41-24-27-2-8-28(9-3-27)35(39)40;3*3-2(4,5)1(6)7/h2-13,31-32H,14-24H2,1H3,(H3,39,40)(H,41,50)(H,42,48)(H,43,49)(H,44,51)(H,45,52);3*(H,6,7)/t31-,32+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.850 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532401
(CHEMBL4515955)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])(NC(=O)OC)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:22.18,wD:49.47,(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,;14.55,-14.2,;14.5,-15.74,;14.46,-17.69,;15.01,-19.55,;16.51,-19.12,;17.64,-20.2,;17.26,-21.71,;19.07,-23.21,;18.3,-24.57,;19.04,-25.94,;16.74,-24.52,;15.93,-25.85,;14.37,-25.8,;13.57,-27.11,;12.04,-27.06,;11.31,-25.72,;12.11,-24.41,;13.65,-24.45,;9.75,-25.68,;9.01,-24.31,;7.45,-24.27,;6.63,-25.6,;6.7,-22.9,;7.46,-21.41,;6.94,-19.96,;7.94,-18.8,;9.45,-19.09,;10.45,-17.92,;10.5,-16.39,;10.54,-14.86,;9.19,-15.58,;7.82,-16.32,;7.78,-17.88,;6.49,-15.51,;6.53,-13.95,;11.85,-15.66,;11.89,-14.13,;13.15,-16.46,;9.96,-20.52,;8.97,-21.69,;15.76,-22.15,;14.63,-21.06,;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,)| Show InChI InChI=1S/C38H47N9O6.3C2HF3O2/c1-53-38(52)45-32-23-26-6-12-30(13-7-26)43-34(49)15-17-47-20-18-46(19-21-47)16-14-33(48)42-29-10-4-25(5-11-29)22-31(44-37(32)51)36(50)41-24-27-2-8-28(9-3-27)35(39)40;3*3-2(4,5)1(6)7/h2-13,31-32H,14-24H2,1H3,(H3,39,40)(H,41,50)(H,42,48)(H,43,49)(H,44,51)(H,45,52);3*(H,6,7)/t31-,32+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.850 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532392
(CHEMBL4437656)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)Cc4ccccc4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.69,-31.55,;27.48,-32.87,;26.73,-34.22,;29.03,-32.84,;30.43,-32.82,;30.07,-34.07,;30.03,-31.57,;26.41,-21.84,;27.2,-23.17,;26.45,-24.52,;28.75,-23.13,;30.15,-23.11,;29.79,-24.37,;29.75,-21.87,;26.81,-27,;27.6,-28.33,;26.85,-29.68,;29.15,-28.3,;30.55,-28.27,;30.19,-29.53,;30.15,-27.03,;16.8,-18.52,;16.75,-20.04,;16.71,-21.97,;17.26,-23.81,;18.75,-23.39,;19.86,-24.45,;19.49,-25.95,;21.28,-27.43,;20.52,-28.78,;21.25,-30.14,;18.97,-28.73,;18.16,-30.04,;16.62,-30,;15.83,-31.29,;14.31,-31.24,;13.59,-29.92,;14.38,-28.63,;15.9,-28.66,;12.05,-29.88,;11.31,-28.52,;9.77,-28.48,;8.96,-29.8,;9.03,-27.12,;9.78,-25.65,;9.27,-24.22,;10.26,-23.07,;11.75,-23.35,;12.74,-22.2,;12.79,-20.68,;12.83,-19.16,;11.49,-19.88,;10.13,-20.61,;10.89,-21.95,;9.36,-21.94,;8.79,-19.84,;7.45,-20.62,;6.11,-19.84,;4.78,-20.62,;4.78,-22.16,;6.13,-22.93,;7.46,-22.15,;14.12,-19.96,;14.17,-18.44,;15.42,-20.75,;12.26,-24.77,;11.28,-25.92,;18,-26.38,;16.88,-25.31,;18.04,-20.83,;18,-22.35,;19.38,-20.11,;20.67,-20.91,;22.01,-20.19,;23.29,-20.99,;24.63,-20.28,;24.68,-18.76,;26.04,-18.03,;27.35,-18.84,;23.38,-17.96,;22.05,-18.68,)| Show InChI InChI=1S/C43H52N8O6S.3C2HF3O2/c44-28-33-6-8-34(9-7-33)29-45-42(54)38-26-31-10-14-36(15-11-31)46-40(52)18-20-50-22-24-51(25-23-50)21-19-41(53)47-37-16-12-32(13-17-37)27-39(43(55)48-38)49-58(56,57)30-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,38-39,49H,18-30,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t38-,39+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532392
(CHEMBL4437656)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)Cc4ccccc4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1 |r,wU:22.18,wD:49.47,(26.69,-31.55,;27.48,-32.87,;26.73,-34.22,;29.03,-32.84,;30.43,-32.82,;30.07,-34.07,;30.03,-31.57,;26.41,-21.84,;27.2,-23.17,;26.45,-24.52,;28.75,-23.13,;30.15,-23.11,;29.79,-24.37,;29.75,-21.87,;26.81,-27,;27.6,-28.33,;26.85,-29.68,;29.15,-28.3,;30.55,-28.27,;30.19,-29.53,;30.15,-27.03,;16.8,-18.52,;16.75,-20.04,;16.71,-21.97,;17.26,-23.81,;18.75,-23.39,;19.86,-24.45,;19.49,-25.95,;21.28,-27.43,;20.52,-28.78,;21.25,-30.14,;18.97,-28.73,;18.16,-30.04,;16.62,-30,;15.83,-31.29,;14.31,-31.24,;13.59,-29.92,;14.38,-28.63,;15.9,-28.66,;12.05,-29.88,;11.31,-28.52,;9.77,-28.48,;8.96,-29.8,;9.03,-27.12,;9.78,-25.65,;9.27,-24.22,;10.26,-23.07,;11.75,-23.35,;12.74,-22.2,;12.79,-20.68,;12.83,-19.16,;11.49,-19.88,;10.13,-20.61,;10.89,-21.95,;9.36,-21.94,;8.79,-19.84,;7.45,-20.62,;6.11,-19.84,;4.78,-20.62,;4.78,-22.16,;6.13,-22.93,;7.46,-22.15,;14.12,-19.96,;14.17,-18.44,;15.42,-20.75,;12.26,-24.77,;11.28,-25.92,;18,-26.38,;16.88,-25.31,;18.04,-20.83,;18,-22.35,;19.38,-20.11,;20.67,-20.91,;22.01,-20.19,;23.29,-20.99,;24.63,-20.28,;24.68,-18.76,;26.04,-18.03,;27.35,-18.84,;23.38,-17.96,;22.05,-18.68,)| Show InChI InChI=1S/C43H52N8O6S.3C2HF3O2/c44-28-33-6-8-34(9-7-33)29-45-42(54)38-26-31-10-14-36(15-11-31)46-40(52)18-20-50-22-24-51(25-23-50)21-19-41(53)47-37-16-12-32(13-17-37)27-39(43(55)48-38)49-58(56,57)30-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h1-17,38-39,49H,18-30,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55);3*(H,6,7)/t38-,39+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50514081
(CHEMBL4471466)Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | 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 chromozyme PL as substrate by spectrophotometric method |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50514081
(CHEMBL4471466)Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | 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 chromozyme PL as substrate by spectrophotometric method |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50514081
(CHEMBL4471466)Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | 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 trypsin (unknown origin) |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50514081
(CHEMBL4471466)Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | 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 trypsin (unknown origin) |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532404
(CHEMBL4443405)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)NCCCCNC(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:49.47,wD:22.18,(22.67,-28.26,;23.46,-29.58,;22.72,-30.93,;25.01,-29.55,;26.41,-29.53,;26.05,-30.78,;26.01,-28.29,;23.48,-22.9,;24.27,-24.22,;23.53,-25.56,;25.82,-24.18,;27.22,-24.16,;26.86,-25.41,;26.82,-22.92,;28.24,-26.14,;29.03,-27.46,;28.28,-28.81,;30.57,-27.43,;31.97,-27.4,;31.61,-28.66,;31.57,-26.16,;8.32,-18.89,;8.28,-20.39,;8.23,-21.91,;7.25,-23.07,;5.75,-22.78,;4.77,-23.93,;5.27,-25.36,;4.53,-26.83,;5.27,-28.18,;4.46,-29.49,;6.8,-28.22,;7.54,-29.57,;9.08,-29.62,;9.87,-28.32,;11.39,-28.36,;12.1,-29.69,;11.31,-30.99,;9.8,-30.94,;13.64,-29.74,;14.45,-28.43,;15.99,-28.48,;16.72,-29.83,;16.75,-27.13,;14.96,-25.66,;15.33,-24.16,;14.22,-23.1,;12.74,-23.52,;12.19,-21.68,;12.23,-19.76,;12.28,-18.24,;10.9,-20.47,;9.61,-19.68,;9.65,-18.16,;13.52,-20.55,;13.47,-22.06,;14.85,-19.83,;16.14,-20.63,;17.48,-19.91,;18.79,-20.72,;20.14,-20,;21.45,-20.81,;22.81,-20.08,;24.12,-20.89,;22.86,-18.54,;12.36,-25.02,;13.47,-26.09,;6.77,-25.63,;7.75,-24.48,;6.99,-19.6,;5.62,-20.33,;6.39,-21.66,;4.85,-21.66,;4.32,-19.53,;2.96,-20.26,;1.65,-19.46,;.3,-20.19,;.25,-21.73,;1.57,-22.54,;2.93,-21.81,)| Show InChI InChI=1S/C39H59N11O6S.3C2HF3O2/c40-39(41)43-19-5-4-18-42-37(53)33-26-28-8-12-30(13-9-28)44-35(51)16-20-49-22-24-50(25-23-49)21-17-36(52)45-31-14-10-29(11-15-31)27-34(38(54)46-33)48-57(55,56)47-32-6-2-1-3-7-32;3*3-2(4,5)1(6)7/h8-15,32-34,47-48H,1-7,16-27H2,(H,42,53)(H,44,51)(H,45,52)(H,46,54)(H4,40,41,43);3*(H,6,7)/t33-,34+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532404
(CHEMBL4443405)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)NCCCCNC(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:49.47,wD:22.18,(22.67,-28.26,;23.46,-29.58,;22.72,-30.93,;25.01,-29.55,;26.41,-29.53,;26.05,-30.78,;26.01,-28.29,;23.48,-22.9,;24.27,-24.22,;23.53,-25.56,;25.82,-24.18,;27.22,-24.16,;26.86,-25.41,;26.82,-22.92,;28.24,-26.14,;29.03,-27.46,;28.28,-28.81,;30.57,-27.43,;31.97,-27.4,;31.61,-28.66,;31.57,-26.16,;8.32,-18.89,;8.28,-20.39,;8.23,-21.91,;7.25,-23.07,;5.75,-22.78,;4.77,-23.93,;5.27,-25.36,;4.53,-26.83,;5.27,-28.18,;4.46,-29.49,;6.8,-28.22,;7.54,-29.57,;9.08,-29.62,;9.87,-28.32,;11.39,-28.36,;12.1,-29.69,;11.31,-30.99,;9.8,-30.94,;13.64,-29.74,;14.45,-28.43,;15.99,-28.48,;16.72,-29.83,;16.75,-27.13,;14.96,-25.66,;15.33,-24.16,;14.22,-23.1,;12.74,-23.52,;12.19,-21.68,;12.23,-19.76,;12.28,-18.24,;10.9,-20.47,;9.61,-19.68,;9.65,-18.16,;13.52,-20.55,;13.47,-22.06,;14.85,-19.83,;16.14,-20.63,;17.48,-19.91,;18.79,-20.72,;20.14,-20,;21.45,-20.81,;22.81,-20.08,;24.12,-20.89,;22.86,-18.54,;12.36,-25.02,;13.47,-26.09,;6.77,-25.63,;7.75,-24.48,;6.99,-19.6,;5.62,-20.33,;6.39,-21.66,;4.85,-21.66,;4.32,-19.53,;2.96,-20.26,;1.65,-19.46,;.3,-20.19,;.25,-21.73,;1.57,-22.54,;2.93,-21.81,)| Show InChI InChI=1S/C39H59N11O6S.3C2HF3O2/c40-39(41)43-19-5-4-18-42-37(53)33-26-28-8-12-30(13-9-28)44-35(51)16-20-49-22-24-50(25-23-49)21-17-36(52)45-31-14-10-29(11-15-31)27-34(38(54)46-33)48-57(55,56)47-32-6-2-1-3-7-32;3*3-2(4,5)1(6)7/h8-15,32-34,47-48H,1-7,16-27H2,(H,42,53)(H,44,51)(H,45,52)(H,46,54)(H4,40,41,43);3*(H,6,7)/t33-,34+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532405
(CHEMBL4441842)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)CCc1ccccc1 |r,wU:49.47,wD:22.18,(46.76,-27.99,;47.55,-29.31,;46.8,-30.66,;49.1,-29.28,;50.5,-29.25,;50.14,-30.51,;50.1,-28.01,;52.47,-24.25,;53.26,-25.57,;52.51,-26.92,;54.81,-25.54,;56.22,-25.52,;55.85,-26.77,;55.81,-24.27,;51.53,-29.02,;52.33,-30.35,;51.58,-31.7,;53.88,-30.32,;55.28,-30.29,;54.92,-31.55,;54.88,-29.05,;35.78,-23.91,;35.74,-25.42,;35.7,-26.94,;34.71,-28.1,;33.21,-27.81,;32.22,-28.96,;32.73,-30.4,;31.99,-31.87,;32.72,-33.23,;31.92,-34.55,;34.27,-33.27,;35,-34.63,;36.55,-34.67,;37.34,-33.37,;38.86,-33.41,;39.57,-34.75,;38.78,-36.04,;37.26,-35.99,;41.12,-34.79,;41.93,-33.48,;43.47,-33.53,;44.2,-34.88,;44.24,-32.18,;42.44,-30.7,;42.81,-29.2,;41.7,-28.13,;40.21,-28.56,;39.67,-26.71,;39.71,-24.78,;39.75,-23.26,;38.37,-25.5,;37.08,-24.71,;37.12,-23.19,;41,-25.58,;40.95,-27.1,;42.33,-24.86,;43.63,-25.66,;44.97,-24.94,;46.26,-25.75,;47.59,-25.02,;47.64,-23.51,;46.34,-22.71,;45,-23.43,;48.98,-22.79,;50.27,-23.58,;49.02,-21.26,;39.84,-30.06,;40.95,-31.13,;34.23,-30.67,;35.21,-29.52,;34.45,-24.63,;33.09,-25.36,;33.05,-26.91,;31.77,-24.55,;31.82,-23.01,;30.5,-22.2,;30.55,-20.66,;29.23,-19.86,;27.87,-20.59,;27.84,-22.14,;29.15,-22.94,)| Show InChI InChI=1S/C45H53N9O5.3C2HF3O2/c46-43(47)35-13-6-34(7-14-35)30-48-44(58)38-28-32-8-15-36(16-9-32)49-41(56)20-22-53-24-26-54(27-25-53)23-21-42(57)50-37-17-10-33(11-18-37)29-39(45(59)52-38)51-40(55)19-12-31-4-2-1-3-5-31;3*3-2(4,5)1(6)7/h1-11,13-18,38-39H,12,19-30H2,(H3,46,47)(H,48,58)(H,49,56)(H,50,57)(H,51,55)(H,52,59);3*(H,6,7)/t38-,39+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532405
(CHEMBL4441842)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)CCc1ccccc1 |r,wU:49.47,wD:22.18,(46.76,-27.99,;47.55,-29.31,;46.8,-30.66,;49.1,-29.28,;50.5,-29.25,;50.14,-30.51,;50.1,-28.01,;52.47,-24.25,;53.26,-25.57,;52.51,-26.92,;54.81,-25.54,;56.22,-25.52,;55.85,-26.77,;55.81,-24.27,;51.53,-29.02,;52.33,-30.35,;51.58,-31.7,;53.88,-30.32,;55.28,-30.29,;54.92,-31.55,;54.88,-29.05,;35.78,-23.91,;35.74,-25.42,;35.7,-26.94,;34.71,-28.1,;33.21,-27.81,;32.22,-28.96,;32.73,-30.4,;31.99,-31.87,;32.72,-33.23,;31.92,-34.55,;34.27,-33.27,;35,-34.63,;36.55,-34.67,;37.34,-33.37,;38.86,-33.41,;39.57,-34.75,;38.78,-36.04,;37.26,-35.99,;41.12,-34.79,;41.93,-33.48,;43.47,-33.53,;44.2,-34.88,;44.24,-32.18,;42.44,-30.7,;42.81,-29.2,;41.7,-28.13,;40.21,-28.56,;39.67,-26.71,;39.71,-24.78,;39.75,-23.26,;38.37,-25.5,;37.08,-24.71,;37.12,-23.19,;41,-25.58,;40.95,-27.1,;42.33,-24.86,;43.63,-25.66,;44.97,-24.94,;46.26,-25.75,;47.59,-25.02,;47.64,-23.51,;46.34,-22.71,;45,-23.43,;48.98,-22.79,;50.27,-23.58,;49.02,-21.26,;39.84,-30.06,;40.95,-31.13,;34.23,-30.67,;35.21,-29.52,;34.45,-24.63,;33.09,-25.36,;33.05,-26.91,;31.77,-24.55,;31.82,-23.01,;30.5,-22.2,;30.55,-20.66,;29.23,-19.86,;27.87,-20.59,;27.84,-22.14,;29.15,-22.94,)| Show InChI InChI=1S/C45H53N9O5.3C2HF3O2/c46-43(47)35-13-6-34(7-14-35)30-48-44(58)38-28-32-8-15-36(16-9-32)49-41(56)20-22-53-24-26-54(27-25-53)23-21-42(57)50-37-17-10-33(11-18-37)29-39(45(59)52-38)51-40(55)19-12-31-4-2-1-3-5-31;3*3-2(4,5)1(6)7/h1-11,13-18,38-39H,12,19-30H2,(H3,46,47)(H,48,58)(H,49,56)(H,50,57)(H,51,55)(H,52,59);3*(H,6,7)/t38-,39+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50008781
(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1 Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 251: 557-62 (1989)
BindingDB Entry DOI: 10.7270/Q24Q7SGJ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532386
(CHEMBL4458773)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)NC(=O)OCc1ccccc1 |r,wU:47.45,wD:22.18,(28.57,-22.53,;29.38,-23.87,;28.62,-25.23,;30.94,-23.84,;32.36,-23.81,;31.99,-25.08,;31.95,-22.56,;22.56,-22.03,;23.36,-23.37,;22.6,-24.74,;24.93,-23.34,;26.35,-23.32,;25.98,-24.59,;25.94,-22.06,;23.7,-28.41,;24.5,-29.75,;23.74,-31.12,;26.07,-29.72,;27.49,-29.7,;27.12,-30.97,;27.08,-28.44,;10.64,-19.1,;10.64,-20.63,;10.64,-22.17,;9.55,-23.25,;8.06,-22.84,;6.97,-23.91,;7.36,-25.4,;6.48,-26.82,;7.15,-29.07,;5.71,-29.62,;8.34,-30.03,;9.88,-30.03,;10.64,-28.7,;12.18,-28.69,;12.94,-30.02,;12.18,-31.35,;10.64,-31.35,;14.47,-30.03,;15.7,-29.1,;17.11,-29.7,;16.13,-27.4,;15.91,-25.9,;14.4,-25.53,;13.96,-24.02,;15.05,-22.9,;14.45,-21.49,;14.63,-19.86,;14.63,-18.33,;13.3,-20.63,;11.97,-19.86,;11.97,-18.33,;15.95,-20.63,;15.95,-22.17,;17.29,-19.86,;18.62,-20.63,;19.95,-19.86,;21.28,-20.64,;22.61,-19.87,;22.61,-18.34,;21.27,-17.57,;19.94,-18.34,;23.94,-17.57,;25.27,-18.33,;23.93,-16.02,;16.57,-23.27,;17,-24.77,;8.85,-25.8,;9.93,-24.72,;9.31,-19.86,;7.96,-20.65,;7.96,-22.21,;6.6,-19.87,;5.25,-20.65,;3.9,-19.88,;3.9,-18.32,;2.55,-17.54,;1.19,-18.32,;1.2,-19.89,;2.56,-20.66,)| Show InChI InChI=1S/C42H47N9O6.3C2HF3O2/c43-39(44)32-12-6-30(7-13-32)24-45-40(54)35-22-28-8-14-33(15-9-28)46-37(52)25-50-18-20-51(21-19-50)26-38(53)47-34-16-10-29(11-17-34)23-36(41(55)48-35)49-42(56)57-27-31-4-2-1-3-5-31;3*3-2(4,5)1(6)7/h1-17,35-36H,18-27H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55)(H,49,56);3*(H,6,7)/t35-,36+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532386
(CHEMBL4458773)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)NC(=O)OCc1ccccc1 |r,wU:47.45,wD:22.18,(28.57,-22.53,;29.38,-23.87,;28.62,-25.23,;30.94,-23.84,;32.36,-23.81,;31.99,-25.08,;31.95,-22.56,;22.56,-22.03,;23.36,-23.37,;22.6,-24.74,;24.93,-23.34,;26.35,-23.32,;25.98,-24.59,;25.94,-22.06,;23.7,-28.41,;24.5,-29.75,;23.74,-31.12,;26.07,-29.72,;27.49,-29.7,;27.12,-30.97,;27.08,-28.44,;10.64,-19.1,;10.64,-20.63,;10.64,-22.17,;9.55,-23.25,;8.06,-22.84,;6.97,-23.91,;7.36,-25.4,;6.48,-26.82,;7.15,-29.07,;5.71,-29.62,;8.34,-30.03,;9.88,-30.03,;10.64,-28.7,;12.18,-28.69,;12.94,-30.02,;12.18,-31.35,;10.64,-31.35,;14.47,-30.03,;15.7,-29.1,;17.11,-29.7,;16.13,-27.4,;15.91,-25.9,;14.4,-25.53,;13.96,-24.02,;15.05,-22.9,;14.45,-21.49,;14.63,-19.86,;14.63,-18.33,;13.3,-20.63,;11.97,-19.86,;11.97,-18.33,;15.95,-20.63,;15.95,-22.17,;17.29,-19.86,;18.62,-20.63,;19.95,-19.86,;21.28,-20.64,;22.61,-19.87,;22.61,-18.34,;21.27,-17.57,;19.94,-18.34,;23.94,-17.57,;25.27,-18.33,;23.93,-16.02,;16.57,-23.27,;17,-24.77,;8.85,-25.8,;9.93,-24.72,;9.31,-19.86,;7.96,-20.65,;7.96,-22.21,;6.6,-19.87,;5.25,-20.65,;3.9,-19.88,;3.9,-18.32,;2.55,-17.54,;1.19,-18.32,;1.2,-19.89,;2.56,-20.66,)| Show InChI InChI=1S/C42H47N9O6.3C2HF3O2/c43-39(44)32-12-6-30(7-13-32)24-45-40(54)35-22-28-8-14-33(15-9-28)46-37(52)25-50-18-20-51(21-19-50)26-38(53)47-34-16-10-29(11-17-34)23-36(41(55)48-35)49-42(56)57-27-31-4-2-1-3-5-31;3*3-2(4,5)1(6)7/h1-17,35-36H,18-27H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55)(H,49,56);3*(H,6,7)/t35-,36+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532402
(CHEMBL4466850)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])(NS(=O)(=O)N(C)C)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:22.18,wD:47.45,(23.02,-28.7,;23.82,-30.04,;23.06,-31.4,;25.39,-30,;26.81,-29.98,;26.44,-31.25,;26.4,-28.72,;24.14,-22.95,;24.94,-24.29,;24.18,-25.66,;26.51,-24.26,;27.94,-24.24,;27.57,-25.51,;27.53,-22.98,;28.97,-26.25,;29.77,-27.59,;29.01,-28.95,;31.34,-27.55,;32.76,-27.53,;32.39,-28.8,;32.35,-26.27,;16.72,-19.01,;16.72,-20.55,;16.54,-22.18,;17.14,-23.59,;16.05,-24.72,;16.49,-26.22,;18.01,-26.6,;18.23,-28.1,;17.79,-29.8,;19.21,-30.41,;16.56,-30.73,;15.03,-30.72,;14.26,-32.06,;12.73,-32.05,;11.96,-30.73,;12.73,-29.4,;14.27,-29.39,;10.42,-30.73,;9.23,-29.77,;7.79,-30.32,;8.56,-27.52,;9.44,-26.09,;9.05,-24.6,;10.14,-23.53,;11.63,-23.94,;12.72,-22.86,;12.72,-21.32,;12.72,-19.79,;11.39,-20.55,;10.04,-21.33,;10.81,-22.68,;9.25,-22.68,;8.68,-20.56,;7.33,-21.34,;8.68,-18.99,;14.06,-20.55,;14.06,-19.01,;15.39,-21.32,;12.02,-25.42,;10.93,-26.5,;19.1,-25.46,;18.66,-23.96,;18.05,-21.32,;18.05,-22.86,;19.38,-20.55,;20.71,-21.32,;22.05,-20.55,;23.38,-21.33,;24.71,-20.56,;24.71,-19.02,;23.37,-18.26,;22.04,-19.03,;26.04,-18.25,;27.38,-19.02,;26.04,-16.7,)| Show InChI InChI=1S/C36H46N10O6S.3C2HF3O2/c1-44(2)53(51,52)43-31-20-25-7-13-29(14-8-25)41-33(48)23-46-17-15-45(16-18-46)22-32(47)40-28-11-5-24(6-12-28)19-30(42-36(31)50)35(49)39-21-26-3-9-27(10-4-26)34(37)38;3*3-2(4,5)1(6)7/h3-14,30-31,43H,15-23H2,1-2H3,(H3,37,38)(H,39,49)(H,40,47)(H,41,48)(H,42,50);3*(H,6,7)/t30-,31+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.90 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532402
(CHEMBL4466850)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])(NS(=O)(=O)N(C)C)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:22.18,wD:47.45,(23.02,-28.7,;23.82,-30.04,;23.06,-31.4,;25.39,-30,;26.81,-29.98,;26.44,-31.25,;26.4,-28.72,;24.14,-22.95,;24.94,-24.29,;24.18,-25.66,;26.51,-24.26,;27.94,-24.24,;27.57,-25.51,;27.53,-22.98,;28.97,-26.25,;29.77,-27.59,;29.01,-28.95,;31.34,-27.55,;32.76,-27.53,;32.39,-28.8,;32.35,-26.27,;16.72,-19.01,;16.72,-20.55,;16.54,-22.18,;17.14,-23.59,;16.05,-24.72,;16.49,-26.22,;18.01,-26.6,;18.23,-28.1,;17.79,-29.8,;19.21,-30.41,;16.56,-30.73,;15.03,-30.72,;14.26,-32.06,;12.73,-32.05,;11.96,-30.73,;12.73,-29.4,;14.27,-29.39,;10.42,-30.73,;9.23,-29.77,;7.79,-30.32,;8.56,-27.52,;9.44,-26.09,;9.05,-24.6,;10.14,-23.53,;11.63,-23.94,;12.72,-22.86,;12.72,-21.32,;12.72,-19.79,;11.39,-20.55,;10.04,-21.33,;10.81,-22.68,;9.25,-22.68,;8.68,-20.56,;7.33,-21.34,;8.68,-18.99,;14.06,-20.55,;14.06,-19.01,;15.39,-21.32,;12.02,-25.42,;10.93,-26.5,;19.1,-25.46,;18.66,-23.96,;18.05,-21.32,;18.05,-22.86,;19.38,-20.55,;20.71,-21.32,;22.05,-20.55,;23.38,-21.33,;24.71,-20.56,;24.71,-19.02,;23.37,-18.26,;22.04,-19.03,;26.04,-18.25,;27.38,-19.02,;26.04,-16.7,)| Show InChI InChI=1S/C36H46N10O6S.3C2HF3O2/c1-44(2)53(51,52)43-31-20-25-7-13-29(14-8-25)41-33(48)23-46-17-15-45(16-18-46)22-32(47)40-28-11-5-24(6-12-28)19-30(42-36(31)50)35(49)39-21-26-3-9-27(10-4-26)34(37)38;3*3-2(4,5)1(6)7/h3-14,30-31,43H,15-23H2,1-2H3,(H3,37,38)(H,39,49)(H,40,47)(H,41,48)(H,42,50);3*(H,6,7)/t30-,31+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.90 | 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
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
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