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Compile Data Set for Download or QSAR

Found 387 hits of ic50 for UniProtKB: Q96IY4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carboxypeptidase B2


(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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n/an/a 0.00200n/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 B2


(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 0.0250n/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 B2


(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 |r,THB:7:5:34:2.3|
Show InChI InChI=1S/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?/m1/s1
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n/an/a 1n/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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
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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n/an/a 1n/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))
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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n/an/a 1.10n/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...


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 B2


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 1.5n/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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50089687
PNG
(Anabaenopeptin F)
Show SMILES [H][C@]1(NC(=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)[C@@H](C)CC |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 1.5n/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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50275212
PNG
(CHEMBL4127473)
Show SMILES [#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O
Show InChI InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)
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n/an/a 1.5n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human plasma activated thrombin-activatable fibrinolysis inhibitor after 10 mins in presence of DTT


Bioorg Med Chem Lett 28: 2256-2260 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.042
BindingDB Entry DOI: 10.7270/Q25M686N
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 1.90n/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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
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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n/an/a 2n/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))
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 2n/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 B2


(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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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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 |r,wU:4.7,wD:1.0,12.12,(-6.38,5.14,;-5.98,3.65,;-7.07,2.56,;-6.67,1.07,;-5.18,.68,;-4.09,1.76,;-4.49,3.25,;-4.78,-.81,;-5.69,-2.06,;-4.78,-3.3,;-3.32,-2.83,;-1.98,-3.6,;-.65,-2.83,;-.65,-1.29,;.68,-.52,;.68,1.02,;2.02,1.79,;.68,-3.6,;2.02,-2.83,;.68,-5.14,;-3.32,-1.29,)|
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)


BindingDB Entry DOI: 10.7270/Q2KW5DPP
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50197573
PNG
(CHEMBL3912764)
Show SMILES CC1(C)C2CCC1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:4.5:1|
Show InChI InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19-,20-,21-,26?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay


J Med Chem 59: 9567-9573 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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 |r,TLB:10:9:5.4:1|
Show InChI InChI=1S/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?/m0/s1
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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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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 |r,THB:7:5:31:2.3|
Show InChI InChI=1S/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?/m1/s1
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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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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 |r,TLB:10:9:1:5.4|
Show InChI InChI=1S/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?/m0/s1
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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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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 |r,TLB:10:9:1:5.4|
Show InChI InChI=1S/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?/m0/s1
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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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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...


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 B2


(Homo sapiens (Human))
BDBM326336
PNG
((1R*,2S*)-2-(3-Aminopropyl)-1-[1-(3,3-dimethylbuty...)
Show SMILES CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O |r|
Show InChI InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1
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US Patent
n/an/a 4.5n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
HEPES buffered saline (20 mM HEPES, 150 mM NaCl, pH 7.4; hereinafter, referred to as HBS) was used in the preparation of a reaction solution. To 12 &...


US Patent US9662310 (2017)


BindingDB Entry DOI: 10.7270/Q2W09829
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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n/an/a 5n/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))
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)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=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 5n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human activated thrombin activatable fibrinolysis inhibitor


Bioorg Med Chem Lett 17: 1349-54 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.078
BindingDB Entry DOI: 10.7270/Q2RJ4J5B
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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n/an/a 5n/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))
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 |r,wU:12.12,wD:5.5,15.16,1.0,(4.54,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|
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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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)


BindingDB Entry DOI: 10.7270/Q2KW5DPP
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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...


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 B2


(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 |r,wU:12.12,1.0,wD:5.5,15.16,(4.54,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|
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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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)


BindingDB Entry DOI: 10.7270/Q2KW5DPP
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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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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...


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 B2


(Homo sapiens (Human))
BDBM173886
PNG
(US9688645, 1-1)
Show SMILES CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r|
Show InChI InChI=1S/C25H40N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h8-11,17,20-22H,3-7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/t20-,21+,22+/m0/s1
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n/an/a 6n/an/an/an/a7.425



SANOFI

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI Activity Kit from American Diagnostica (Pr. No. 874). This ...


US Patent US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
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))
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


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
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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n/an/a 7n/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))
BDBM109254
PNG
(US8609710, 25)
Show SMILES C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O |r,wU:12.12,1.0,wD:15.16,(4.54,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;1.87,-1.29,;1.87,-2.83,;.54,-3.6,;-.79,-2.83,;-.79,-1.29,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-2.66,.68,;-4.14,1.07,;-4.54,2.56,;-3.45,3.65,;-3.85,5.14,;-1.97,3.25,;-1.57,1.76,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,)|
Show InChI InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Enzyme inhibition assay using TAFIa.


US Patent US8609710 (2013)


BindingDB Entry DOI: 10.7270/Q2KW5DPP
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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 |r,TLB:10:9:5.4:1|
Show InChI InChI=1S/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?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins in presence of 1% human serum albumin by microtiter plate reader based assay


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50089749
PNG
(CHEMBL3577433)
Show SMILES CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:1:5.4|
Show InChI InChI=1S/C23H40N4O4/c1-22(2)15-9-10-23(22,3)13-18(15)25-19(28)17(12-14-7-8-14)27-21(31)26-16(20(29)30)6-4-5-11-24/h14-18H,4-13,24H2,1-3H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1
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n/an/a 7n/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


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM109256
PNG
(US8609710, 33)
Show SMILES CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1
Show InChI InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)
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n/an/a 7.5n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Enzyme inhibition assay using TAFIa.


US Patent US8609710 (2013)


BindingDB Entry DOI: 10.7270/Q2KW5DPP
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM173906
PNG
(US9688645, 3-1)
Show SMILES CC(C)[C@H]1COC\C=C\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2 |r,t:7|
Show InChI InChI=1S/C25H38N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h5-6,8-11,17,20-22H,3-4,7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/b6-5+/t20-,21+,22+/m0/s1
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n/an/a 7.70n/an/an/an/a7.425



SANOFI

US Patent


Assay Description
The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI Activity Kit from American Diagnostica (Pr. No. 874). This ...


US Patent US9688645 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6HJ3
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM109252
PNG
(US8609710, 15 (2S form))
Show SMILES C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1 |r,wU:4.7,wD:1.0,12.12,(-3.85,5.14,;-3.45,3.65,;-4.54,2.56,;-4.14,1.07,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|
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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n/an/a 7.80n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Enzyme inhibition assay using TAFIa.


US Patent US8609710 (2013)


BindingDB Entry DOI: 10.7270/Q2KW5DPP
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM326397
PNG
((1R,2S)-2-[(2R)-2-(Aminomethyl)butyl]-1-(1-phenyl-...)
Show SMILES CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H33N3O4/c1-6-17(14-25-22(29)31-23(2,3)4)12-18-13-24(18,21(28)30-5)20-15-27(16-26-20)19-10-8-7-9-11-19/h7-11,15-18H,6,12-14H2,1-5H3,(H,25,29)/t17-,18+,24-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
HEPES buffered saline (20 mM HEPES, 150 mM NaCl, pH 7.4; hereinafter, referred to as HBS) was used in the preparation of a reaction solution. To 12 &...


US Patent US9662310 (2017)


BindingDB Entry DOI: 10.7270/Q2W09829
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#6]-[#16])-[#6](-[#8])=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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n/an/a 8n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human activated thrombin activatable fibrinolysis inhibitor


Bioorg Med Chem Lett 17: 1349-54 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.078
BindingDB Entry DOI: 10.7270/Q2RJ4J5B
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50008271
PNG
(CHEMBL3235132)
Show SMILES CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r|
Show InChI InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a using hippuryl-L-arginine/hippuryl-L-lysine as substrate by liquid chromatographic analysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 8n/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))
BDBM50575777
PNG
(CHEMBL4852722)
Show SMILES COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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n/an/a 8n/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))
BDBM109253
PNG
(US8609710, 24)
Show SMILES C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c1 |r,wU:4.7,wD:1.0,(-3.85,5.14,;-3.45,3.65,;-4.54,2.56,;-4.14,1.07,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|
Show InChI InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?
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n/an/a 8.10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Enzyme inhibition assay using TAFIa.


US Patent US8609710 (2013)


BindingDB Entry DOI: 10.7270/Q2KW5DPP
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50135939
PNG
(3-(4,4-Diamino-but-3-enylsulfanyl)-2-mercaptomethy...)
Show SMILES NC(=N)CCCSCC(CS)C(O)=O
Show InChI InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)
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n/an/a 8.20n/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


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM326395
PNG
((1R,2S)-2-[(2R)-2-(Aminomethyl)butyl]-1-(1-pyridin...)
Show SMILES CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1 |r|
Show InChI InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
HEPES buffered saline (20 mM HEPES, 150 mM NaCl, pH 7.4; hereinafter, referred to as HBS) was used in the preparation of a reaction solution. To 12 &...


US Patent US9662310 (2017)


BindingDB Entry DOI: 10.7270/Q2W09829
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM109238
PNG
(US8609710, 2)
Show SMILES C[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1 |r,wU:4.7,wD:1.0,(-3.85,5.14,;-3.45,3.65,;-4.54,2.56,;-4.14,1.07,;-2.66,.68,;-1.57,1.76,;-1.97,3.25,;-2.26,-.81,;-3.16,-2.06,;-2.26,-3.3,;-.79,-2.83,;.54,-3.6,;1.87,-2.83,;1.87,-1.29,;3.21,-.52,;3.21,1.02,;4.54,1.79,;3.21,-3.6,;3.21,-5.14,;4.54,-2.83,;-.79,-1.29,)|
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-
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n/an/a 8.30n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Enzyme inhibition assay using TAFIa.


US Patent US8609710 (2013)


BindingDB Entry DOI: 10.7270/Q2KW5DPP
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM326393
PNG
((1R,2S)-2-[(2R)-3-Amino-2-methylpropyl]-1-[1-(5-me...)
Show SMILES C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1 |r|
Show InChI InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13+,17-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
HEPES buffered saline (20 mM HEPES, 150 mM NaCl, pH 7.4; hereinafter, referred to as HBS) was used in the preparation of a reaction solution. To 12 &...


US Patent US9662310 (2017)


BindingDB Entry DOI: 10.7270/Q2W09829
More data for this
Ligand-Target Pair
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