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There are 9 purchasable compounds for target: Activated thrombin-activatable fibrinolysis inhibitor (TAFIa)

Wt: 325.3
BDBM81904
Purchase
Wt: 379.4
BDBM81905
Wt: 390.4
BDBM81906
Wt: 397.4
BDBM81907
Wt: 405.4
BDBM81908
Wt: 447.6
BDBM81910
Wt: 461.5
BDBM81911
Wt: 208.2
BDBM50121929
Purchase
Wt: 452.6
BDBM50089700
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 81904,81905,81906,81907,81908,81910,81911,50121929,50089700   
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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM81910
PNG
(1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl...)
Show SMILES CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)
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PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Chem Biol Drug Des 73: 75-82 (2009)

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


(Homo sapiens (Human))
BDBM81906
PNG
(2-(5-(naphthalen-2-yloxy)methyl)-1,3,4-oxadiazol-2...)
Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1
Show InChI InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Chem Biol Drug Des 73: 75-82 (2009)

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


(Homo sapiens (Human))
BDBM81905
PNG
(1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dime...)
Show SMILES Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1
Show InChI InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3
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7.40E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Chem Biol Drug Des 73: 75-82 (2009)

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


(Homo sapiens (Human))
BDBM81908
PNG
(3-(5-((naphthalen-1-yloxy)methyl)-4-pheny-4H-1,2,4...)
Show SMILES OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)
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1.18E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Chem Biol Drug Des 73: 75-82 (2009)

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


(Homo sapiens (Human))
BDBM81911
PNG
(methyl 2-(3-furan-2-ylmethyl)-3-((8-methyl-2-oxo-1...)
Show SMILES COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O
Show InChI InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)
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1.33E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Chem Biol Drug Des 73: 75-82 (2009)

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


(Homo sapiens (Human))
BDBM81907
PNG
(1-(2-hydroxyethyl)-1-((6-methoxy-2-oxo-1,2-dihydro...)
Show SMILES COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1
Show InChI InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)
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2.25E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Chem Biol Drug Des 73: 75-82 (2009)

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


(Homo sapiens (Human))
BDBM81904
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(5thiophen-2...)
Show SMILES O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2
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3.20E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Chem Biol Drug Des 73: 75-82 (2009)

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


(Homo sapiens (Human))
BDBM50089700
PNG
(CHEMBL3577325)
Show SMILES C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1
Show InChI InChI=1/C24H44N4O4/c1-17(19-12-6-3-7-13-19)26-22(29)21(16-18-10-4-2-5-11-18)28-24(32)27-20(23(30)31)14-8-9-15-25/h17-21H,2-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t17-,20-,21+/s2
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n/an/a 130n/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)

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


(Homo sapiens (Human))
BDBM50121929
PNG
((phenylmethyl)butanedioic acid | 2-benzylbutanedio...)
Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
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n/an/a 1.60E+3n/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)

More data for this
Ligand-Target Pair