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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50040535   
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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395729
PNG
(CHEMBL2164451)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395730
PNG
(CHEMBL2164450)
Show SMILES Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395740
PNG
(CHEMBL2164454)
Show SMILES CCOC(=O)C(CCCCCN)CSC(C)=O
Show InChI InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395730
PNG
(CHEMBL2164450)
Show SMILES Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395739
PNG
(CHEMBL2164455)
Show SMILES CCOC(=O)C(CS)CCCCCN
Show InChI InChI=1S/C10H21NO2S/c1-2-13-10(12)9(8-14)6-4-3-5-7-11/h9,14H,2-8,11H2,1H3
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395736
PNG
(CHEMBL2164458)
Show SMILES CCOC(=O)C(CCCCCN)C[Se]C(=O)CC
Show InChI InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395740
PNG
(CHEMBL2164454)
Show SMILES CCOC(=O)C(CCCCCN)CSC(C)=O
Show InChI InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395733
PNG
(CHEMBL2164461)
Show SMILES NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395734
PNG
(CHEMBL2164460)
Show SMILES NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395736
PNG
(CHEMBL2164458)
Show SMILES CCOC(=O)C(CCCCCN)C[Se]C(=O)CC
Show InChI InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395741
PNG
(CHEMBL2164453)
Show SMILES NCCCCCC(CS)C(O)=O
Show InChI InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395741
PNG
(CHEMBL2164453)
Show SMILES NCCCCCC(CS)C(O)=O
Show InChI InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase B


(Sus scrofa)
BDBM50395730
PNG
(CHEMBL2164450)
Show SMILES Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395729
PNG
(CHEMBL2164451)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395729
PNG
(CHEMBL2164451)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395734
PNG
(CHEMBL2164460)
Show SMILES NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395728
PNG
(CHEMBL2164463)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O |r|
Show InChI InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395733
PNG
(CHEMBL2164461)
Show SMILES NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395728
PNG
(CHEMBL2164463)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O |r|
Show InChI InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395739
PNG
(CHEMBL2164455)
Show SMILES CCOC(=O)C(CS)CCCCCN
Show InChI InChI=1S/C10H21NO2S/c1-2-13-10(12)9(8-14)6-4-3-5-7-11/h9,14H,2-8,11H2,1H3
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395736
PNG
(CHEMBL2164458)
Show SMILES CCOC(=O)C(CCCCCN)C[Se]C(=O)CC
Show InChI InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395738
PNG
(CHEMBL2164456)
Show SMILES CC(=O)SCC(CCCCCN)C(O)=O
Show InChI InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395733
PNG
(CHEMBL2164461)
Show SMILES NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395736
PNG
(CHEMBL2164458)
Show SMILES CCOC(=O)C(CCCCCN)C[Se]C(=O)CC
Show InChI InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395734
PNG
(CHEMBL2164460)
Show SMILES NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395734
PNG
(CHEMBL2164460)
Show SMILES NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395733
PNG
(CHEMBL2164461)
Show SMILES NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395729
PNG
(CHEMBL2164451)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395730
PNG
(CHEMBL2164450)
Show SMILES Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395738
PNG
(CHEMBL2164456)
Show SMILES CC(=O)SCC(CCCCCN)C(O)=O
Show InChI InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair