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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM23891'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Plasminogen


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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Article
PubMed
390n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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390n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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Article
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390n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins ...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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Article
PubMed
390n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


J Med Chem 63: 1445-1472 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01060
BindingDB Entry DOI: 10.7270/Q2VQ361P
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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CHEMBL
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Article
PubMed
1.46E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin)


J Med Chem 62: 2172-2183 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01908
BindingDB Entry DOI: 10.7270/Q24F1V6R
More data for this
Ligand-Target Pair