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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'vallez' and Initial = 'mo'   
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
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575780
PNG
(CHEMBL4878039)
Show SMILES Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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0.75n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))
BDBM50575780
PNG
(CHEMBL4878039)
Show SMILES Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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5.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human pancreatic CPB incubated for 25 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase N catalytic chain


(Homo sapiens (Human))
BDBM50575780
PNG
(CHEMBL4878039)
Show SMILES Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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2.82E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human plasma CPN incubated for 25 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575776
PNG
(CHEMBL4868605)
Show SMILES Cc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575768
PNG
(CHEMBL4846664)
Show SMILES NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575775
PNG
(CHEMBL4861532)
Show SMILES NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575770
PNG
(CHEMBL4858095)
Show SMILES COc1ccc(cn1)-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575780
PNG
(CHEMBL4878039)
Show SMILES Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575769
PNG
(CHEMBL4853133)
Show SMILES NCCCCC1(CN(Cc2ccccc2-c2cncnc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575779
PNG
(CHEMBL4858909)
Show SMILES COc1ccc(cc1OC)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575777
PNG
(CHEMBL4852722)
Show SMILES COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575772
PNG
(CHEMBL4875723)
Show SMILES NCCCC[C@]1(CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(O)=O)C(O)=O |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575771
PNG
(CHEMBL4852607)
Show SMILES Cn1nc(cc1-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O)C(F)(F)F |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575773
PNG
(CHEMBL4861840)
Show SMILES NCCCC[C@]1(CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(O)=O)C(O)=O |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575774
PNG
(CHEMBL4854445)
Show SMILES NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575764
PNG
(CHEMBL4866725)
Show SMILES NCCCCC1(CN(Cc2ccccc2-c2ccccc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575778
PNG
(CHEMBL4868496)
Show SMILES COc1ccc(cc1)-c1cccc(F)c1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127745
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4-phenylsulfa...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Sc4ccccc4)cc3)c(OCc3ccc(Sc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S3/c49-35-15-17-36(18-16-35)55-47-42-27-43(53-30-32-11-19-39(20-12-32)56-37-7-3-1-4-8-37)44(54-31-33-13-21-40(22-14-33)57-38-9-5-2-6-10-38)29-45(42)58-46(47)28-41(48(51)52)34-23-25-50-26-24-34/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 39n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575763
PNG
(CHEMBL4858525)
Show SMILES NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127733
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-phenoxy-be...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccccc1)\c1ccncc1
Show InChI InChI=1S/C48H35NO5S/c50-48(51)41(39-24-26-49-27-25-39)29-46-47(54-40-14-8-3-9-15-40)42-28-43(52-31-33-16-20-37(21-17-33)35-10-4-1-5-11-35)44(30-45(42)55-46)53-32-34-18-22-38(23-19-34)36-12-6-2-7-13-36/h1-30H,31-32H2,(H,50,51)/b41-29+
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127735
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4-phenoxy-ben...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Oc4ccccc4)cc3)c(OCc3ccc(Oc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO7S/c49-35-15-21-40(22-16-35)57-47-42-27-43(53-30-32-11-17-38(18-12-32)55-36-7-3-1-4-8-36)44(54-31-33-13-19-39(20-14-33)56-37-9-5-2-6-10-37)29-45(42)58-46(47)28-41(48(51)52)34-23-25-50-26-24-34/h1-29H,30-31H2,(H,51,52)/b41-28+
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575741
PNG
(CHEMBL4856598)
Show SMILES NCCCC[C@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575757
PNG
(CHEMBL4861694)
Show SMILES NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575761
PNG
(CHEMBL4846016)
Show SMILES NCCCCC1(CN(Cc2ccc(F)cc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127743
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(4-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S/c49-39-19-21-40(22-20-39)55-47-42-27-43(53-30-32-11-15-36(16-12-32)34-7-3-1-4-8-34)44(54-31-33-13-17-37(18-14-33)35-9-5-2-6-10-35)29-45(42)56-46(47)28-41(48(51)52)38-23-25-50-26-24-38/h1-29H,30-31H2,(H,51,52)/b41-28+
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127732
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4'-methoxy-bi...)
Show SMILES COc1ccc(cc1)-c1ccc(COc2cc3sc(\C=C(\C(O)=O)c4ccncc4)c(Oc4ccc(Cl)cc4)c3cc2OCc2ccc(cc2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C50H38ClNO7S/c1-55-40-17-11-36(12-18-40)34-7-3-32(4-8-34)30-57-45-27-44-47(29-46(45)58-31-33-5-9-35(10-6-33)37-13-19-41(56-2)20-14-37)60-48(49(44)59-42-21-15-39(51)16-22-42)28-43(50(53)54)38-23-25-52-26-24-38/h3-29H,30-31H2,1-2H3,(H,53,54)/b43-28+
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n/an/a 140n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575760
PNG
(CHEMBL4855391)
Show SMILES NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575758
PNG
(CHEMBL4847492)
Show SMILES NCCCCC1(CN(Cc2ccc(Cl)cc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575739
PNG
(CHEMBL4862631)
Show SMILES OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575755
PNG
(CHEMBL4857164)
Show SMILES OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575740
PNG
(CHEMBL4869435)
Show SMILES OC(=O)C(F)(F)F.NCCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127742
PNG
((E)-3-[5,6-Bis-(biphenyl-3-ylmethoxy)-3-(4-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3cccc(c3)-c3ccccc3)c(OCc3cccc(c3)-c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S/c49-39-17-19-40(20-18-39)55-47-42-27-43(53-30-32-9-7-15-37(25-32)34-11-3-1-4-12-34)44(54-31-33-10-8-16-38(26-33)35-13-5-2-6-14-35)29-45(42)56-46(47)28-41(48(51)52)36-21-23-50-24-22-36/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 220n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127726
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(3-fluoro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1cccc(F)c1)\c1ccncc1
Show InChI InChI=1S/C48H34FNO5S/c49-39-12-7-13-40(26-39)55-47-42-27-43(53-30-32-14-18-36(19-15-32)34-8-3-1-4-9-34)44(54-31-33-16-20-37(21-17-33)35-10-5-2-6-11-35)29-45(42)56-46(47)28-41(48(51)52)38-22-24-50-25-23-38/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 240n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127730
PNG
((E)-3-[5,6-Bis-(4-benzyl-benzyloxy)-3-(4-chloro-ph...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Cc4ccccc4)cc3)c(OCc3ccc(Cc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C50H38ClNO5S/c51-41-19-21-42(22-20-41)57-49-44-29-45(55-32-38-15-11-36(12-16-38)27-34-7-3-1-4-8-34)46(56-33-39-17-13-37(14-18-39)28-35-9-5-2-6-10-35)31-47(44)58-48(49)30-43(50(53)54)40-23-25-52-26-24-40/h1-26,29-31H,27-28,32-33H2,(H,53,54)/b43-30+
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n/an/a 270n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127741
PNG
((E)-3-[5,6-Bis-benzyloxy-3-(4-chloro-phenoxy)-benz...)
Show SMILES COC(=O)C(=C\c1sc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C37H28ClNO5S/c1-41-37(40)30(27-16-18-39-19-17-27)21-35-36(44-29-14-12-28(38)13-15-29)31-20-32(42-23-25-8-4-2-5-9-25)33(22-34(31)45-35)43-24-26-10-6-3-7-11-26/h2-22H,23-24H2,1H3/b30-21+
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n/an/a 470n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127727
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(4-chloro-...)
Show SMILES Cc1cc(Oc2c(\C=C(\C(O)=O)c3ccncc3)sc3cc(OCc4ccc(cc4)-c4ccccc4)c(OCc4ccc(cc4)-c4ccccc4)cc23)ccc1Cl
Show InChI InChI=1S/C49H36ClNO5S/c1-32-26-40(20-21-43(32)50)56-48-42-27-44(54-30-33-12-16-37(17-13-33)35-8-4-2-5-9-35)45(55-31-34-14-18-38(19-15-34)36-10-6-3-7-11-36)29-46(42)57-47(48)28-41(49(52)53)39-22-24-51-25-23-39/h2-29H,30-31H2,1H3,(H,52,53)/b41-28+
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n/an/a 480n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575743
PNG
(CHEMBL4861443)
Show SMILES NCCCCC1(CC(Cc2ccccc2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575752
PNG
(CHEMBL4855720)
Show SMILES OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575762
PNG
(CHEMBL4848798)
Show SMILES NCCCCC1(CN(Cc2ccccc2F)CCP1(O)=O)C(O)=O
PDB
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n/an/a 515n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127739
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(3,4-diflu...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(F)c(F)c1)\c1ccncc1
Show InChI InChI=1S/C48H33F2NO5S/c49-41-20-19-38(25-42(41)50)56-47-40-26-43(54-29-31-11-15-35(16-12-31)33-7-3-1-4-8-33)44(55-30-32-13-17-36(18-14-32)34-9-5-2-6-10-34)28-45(40)57-46(47)27-39(48(52)53)37-21-23-51-24-22-37/h1-28H,29-30H2,(H,52,53)/b39-27+
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n/an/a 590n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575759
PNG
(CHEMBL4864051)
Show SMILES NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127747
PNG
((E)-3-[5,6-Bis-(4-benzenesulfonyl-benzyloxy)-3-(4-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)S(=O)(=O)c3ccccc3)c(OCc3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO9S3/c49-35-15-17-36(18-16-35)59-47-42-27-43(57-30-32-11-19-39(20-12-32)61(53,54)37-7-3-1-4-8-37)44(29-45(42)60-46(47)28-41(48(51)52)34-23-25-50-26-24-34)58-31-33-13-21-40(22-14-33)62(55,56)38-9-5-2-6-10-38/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 770n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127749
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(4-chloro-...)
Show SMILES Cc1cc(Oc2c(\C=C(\C(O)=O)c3ccncc3)sc3cc(OCc4ccc(cc4)-c4ccccc4)c(OCc4ccc(cc4)-c4ccccc4)cc23)cc(C)c1Cl
Show InChI InChI=1S/C50H38ClNO5S/c1-32-25-41(26-33(2)48(32)51)57-49-43-27-44(55-30-34-13-17-38(18-14-34)36-9-5-3-6-10-36)45(56-31-35-15-19-39(20-16-35)37-11-7-4-8-12-37)29-46(43)58-47(49)28-42(50(53)54)40-21-23-52-24-22-40/h3-29H,30-31H2,1-2H3,(H,53,54)/b42-28+
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n/an/a 1.09E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575754
PNG
(CHEMBL4851707)
Show SMILES OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccoc2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575736
PNG
(CHEMBL4858857)
Show SMILES OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575753
PNG
(CHEMBL4879366)
Show SMILES OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O
PDB
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575737
PNG
(CHEMBL4861262)
Show SMILES OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575734
PNG
(CHEMBL4877745)
Show SMILES OC(=O)C(F)(F)F.NCCCCCC1(CCCCCP1(O)=O)C(O)=O
PDB
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127746
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(6-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(Cl)nc1)\c1ccncc1
Show InChI InChI=1S/C47H33ClN2O5S/c48-45-20-19-38(28-50-45)55-46-40-25-41(53-29-31-11-15-35(16-12-31)33-7-3-1-4-8-33)42(54-30-32-13-17-36(18-14-32)34-9-5-2-6-10-34)27-43(40)56-44(46)26-39(47(51)52)37-21-23-49-24-22-37/h1-28H,29-30H2,(H,51,52)/b39-26+
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n/an/a 2.07E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50127736
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(4-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(Cl)c(F)c1)\c1ccncc1
Show InChI InChI=1S/C48H33ClFNO5S/c49-41-20-19-38(25-42(41)50)56-47-40-26-43(54-29-31-11-15-35(16-12-31)33-7-3-1-4-8-33)44(55-30-32-13-17-36(18-14-32)34-9-5-2-6-10-34)28-45(40)57-46(47)27-39(48(52)53)37-21-23-51-24-22-37/h1-28H,29-30H2,(H,52,53)/b39-27+
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n/an/a 2.28E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
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