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Compile Data Set for Download or QSAR

Found 298 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B'   
Target
(Institution)
LigandTarget
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))
BDBM50144342
PNG
(3-((1R,3S)-3-Amino-cyclopentyl)-2-[1-(3,3-dimethyl...)
Show SMILES CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O
Show InChI InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency against human TAFIa (thrombin-activatable fibrinolysis inhibitor)


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089758
PNG
(CHEMBL3577442)
Show SMILES CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C
Show InChI InChI=1/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21+,22?,28?/s2
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Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089688
PNG
(ANABAENOPEPTIN B)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/s2
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Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089687
PNG
(ANABAENOPEPTIN F | Anabaenopeptin F)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/s2
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Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089686
PNG
(CHEMBL3577334)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/s2
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Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50144337
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(4-methyl-pentyl)-1H...)
Show SMILES CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency against human TAFIa (thrombin-activatable fibrinolysis inhibitor)


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM109264
PNG
(US8609710, 40)
Show SMILES C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1
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US Patent
n/an/a 2.60n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Enzyme inhibition assay using TAFIa.


US Patent US8609710 (2013)

More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


Citation and Details
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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n/an/a 2.80n/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...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089691
PNG
(CHEMBL3577425)
Show SMILES CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/s2
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n/an/a 3n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
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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n/an/a 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...


Citation and Details
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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n/an/a 3.10n/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...


Citation and Details
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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n/an/a 3.20n/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...


Citation and Details
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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n/an/a 3.20n/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...


Citation and Details
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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n/an/a 3.30n/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...


Citation and Details
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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n/an/a 3.40n/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...


Citation and Details
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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n/an/a 3.60n/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...


Citation and Details
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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n/an/a 3.70n/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...


Citation and Details
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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n/an/a>3.80n/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...


Citation and Details
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>3.80n/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...


Citation and Details
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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n/an/a>3.80n/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...


Citation and Details
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>3.80n/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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES NC(N)=Nc1cccc(c1)C(CS)C(O)=O
Show InChI InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)
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n/an/a 4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human activated thrombin activatable fibrinolysis inhibitor


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089751
PNG
(CHEMBL3577435)
Show SMILES CC1(C)C2CCC1(C)CC2NC(=O)C(CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-4-5-9-16)29-23(33)28-18(22(31)32)10-6-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20?,25?/s2
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n/an/a 4n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089755
PNG
(CHEMBL3577439)
Show SMILES CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(O)=O)C2(C)C
Show InChI InChI=1/C25H44N4O4S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-34-12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/s2
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Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50089756
PNG
(CHEMBL3577440)
Show SMILES CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/s2
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Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


Citation and Details
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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n/an/a 4.10n/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...


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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
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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n/an/a 4.90n/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...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency against human TAFIa (thrombin-activatable fibrinolysis inhibitor)


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More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM109265
PNG
(US8609710, 35 (2S,4R form))
Show SMILES C[C@@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O
Show InChI InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m1/s1
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US Patent
n/an/a 5.10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Enzyme inhibition assay using TAFIa.


US Patent US8609710 (2013)

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 5.30n/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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM109258
PNG
(US8609710, 34 (2S,4S form))
Show SMILES C[C@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O
Show InChI InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m0/s1
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US Patent
n/an/a 5.40n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Enzyme inhibition assay using TAFIa.


US Patent US8609710 (2013)

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
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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n/an/a 5.5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135936
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-butyl-1H-imidazol-4-...)
Show SMILES CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


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Ligand-Target Pair
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