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Found 222 hits Enz. Inhib. hit(s) with Target = 'Thrombin-activable fibrinolysis inhibitor (TAFIa)' AND taxid = 9606   
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))
BDBM50305346
PNG
((S)-2-(2-aminoethoxy)-3-(1-phenyl-1H-imidazol-4-yl...)
Show SMILES NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1
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PubMed
3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=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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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50305347
PNG
((S)-2-(2-aminoethoxy)-3-(1-(4-tert-butylphenyl)-1H...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1
Show InChI InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50305351
PNG
((S)-2-((R)-1-aminopropan-2-yloxy)-3-(1-(pyridin-2-...)
Show SMILES C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50305345
PNG
((S)-2-(2-aminoethoxy)-3-(1-propyl-1H-imidazol-4-yl...)
Show SMILES CCCn1cnc(C[C@H](OCCN)C(O)=O)c1
Show InChI InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50305352
PNG
((S)-2-((R)-1-aminopropan-2-yloxy)-3-(1-phenyl-1H-i...)
Show SMILES C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50305348
PNG
((S)-2-(2-aminoethoxy)-3-(1-(2-cyclohexylethyl)-1H-...)
Show SMILES NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O
Show InChI InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50305349
PNG
((+/-)-2-(2-aminoethoxy)-3-(1-butyl-1H-imidazol-4-y...)
Show SMILES CCCCn1cnc(CC(OCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50226605
PNG
((+/-)-5-amino-2-((1-propyl-1H-imidazol-4-yl)methyl...)
Show SMILES CCCn1cnc(CC(CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)
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46n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50305350
PNG
((+/-)-2-(2-aminoethoxy)-3-(1-o-tolyl-1H-imidazol-4...)
Show SMILES Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1
Show InChI InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)
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65n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50226598
PNG
((S)-2-(2-aminoethylamino)-3-(1-butyl-1H-imidazol-4...)
Show SMILES CCCCn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C12H22N4O2/c1-2-3-6-16-8-10(15-9-16)7-11(12(17)18)14-5-4-13/h8-9,11,14H,2-7,13H2,1H3,(H,17,18)/t11-/m0/s1
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70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226606
PNG
((S)-2-(2-aminoethylamino)-3-(1-propyl-1H-imidazol-...)
Show SMILES CCCn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1
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84n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226597
PNG
((S)-2-(2-aminoethylamino)-3-(1-isobutyl-1H-imidazo...)
Show SMILES CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C12H22N4O2/c1-9(2)6-16-7-10(15-8-16)5-11(12(17)18)14-4-3-13/h7-9,11,14H,3-6,13H2,1-2H3,(H,17,18)/t11-/m0/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226611
PNG
((S)-2-(2-aminoethylamino)-3-(1-(3-hydroxypropyl)-1...)
Show SMILES NCCN[C@@H](Cc1cn(CCCO)cn1)C(O)=O
Show InChI InChI=1S/C11H20N4O3/c12-2-3-13-10(11(17)18)6-9-7-15(8-14-9)4-1-5-16/h7-8,10,13,16H,1-6,12H2,(H,17,18)/t10-/m0/s1
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111n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226614
PNG
((S)-2-(2-aminoethylamino)-3-(1-(cyclobutylmethyl)-...)
Show SMILES NCCN[C@@H](Cc1cn(CC2CCC2)cn1)C(O)=O
Show InChI InChI=1S/C13H22N4O2/c14-4-5-15-12(13(18)19)6-11-8-17(9-16-11)7-10-2-1-3-10/h8-10,12,15H,1-7,14H2,(H,18,19)/t12-/m0/s1
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124n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226613
PNG
((S)-2-(2-aminoethylamino)-3-(1-phenethyl-1H-imidaz...)
Show SMILES NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s1
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226607
PNG
((+/-)-2-((1H-imidazol-4-yl)methyl)-5-aminopentanoi...)
Show SMILES NCCCC(Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226606
PNG
((S)-2-(2-aminoethylamino)-3-(1-propyl-1H-imidazol-...)
Show SMILES CCCn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1
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150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50226602
PNG
((S)-2-(2-aminoethylamino)-3-(1-pentyl-1H-imidazol-...)
Show SMILES CCCCCn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C13H24N4O2/c1-2-3-4-7-17-9-11(16-10-17)8-12(13(18)19)15-6-5-14/h9-10,12,15H,2-8,14H2,1H3,(H,18,19)/t12-/m0/s1
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160n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226601
PNG
((2S)-2-[(2-aminoethyl)amino]-3-(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1
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235n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226599
PNG
((S)-2-(2-aminoethylamino)-3-(1-ethyl-1H-imidazol-4...)
Show SMILES CCn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C10H18N4O2/c1-2-14-6-8(13-7-14)5-9(10(15)16)12-4-3-11/h6-7,9,12H,2-5,11H2,1H3,(H,15,16)/t9-/m0/s1
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250n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226608
PNG
((S)-2-(2-aminoethylamino)-3-(1-benzyl-1H-imidazol-...)
Show SMILES NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C15H20N4O2/c16-6-7-17-14(15(20)21)8-13-10-19(11-18-13)9-12-4-2-1-3-5-12/h1-5,10-11,14,17H,6-9,16H2,(H,20,21)/t14-/m0/s1
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269n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226603
PNG
((+/-)-5-amino-2-(mercaptomethyl)pentanoic acid | C...)
Show SMILES NCCCC(CS)C(O)=O
Show InChI InChI=1S/C6H13NO2S/c7-3-1-2-5(4-10)6(8)9/h5,10H,1-4,7H2,(H,8,9)
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300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226600
PNG
((2S)-2-[(2-aminoethyl)amino]-3-(1H-imidazol-4-yl)p...)
Show SMILES NCCN[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m0/s1
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344n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50305353
PNG
((+/-)-2-(2-(methylamino)ethoxy)-3-(1-propyl-1H-imi...)
Show SMILES CCCn1cnc(CC(OCCNC)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)
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407n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


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


(Homo sapiens (Human))
BDBM50226609
PNG
((S)-2-(2-aminoethylamino)-3-(1-isopropyl-1H-imidaz...)
Show SMILES CC(C)n1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C11H20N4O2/c1-8(2)15-6-9(14-7-15)5-10(11(16)17)13-4-3-12/h6-8,10,13H,3-5,12H2,1-2H3,(H,16,17)/t10-/m0/s1
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430n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50226604
PNG
(CHEMBL392205 | ent-(2S)-5-amino-2-[(1-n-propyl-1H-...)
Show SMILES CCCn1cnc(C[C@@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m1/s1
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>700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


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


(Homo sapiens (Human))
BDBM50305354
PNG
((R)-2-(2-aminoethoxy)-3-(1-propyl-1H-imidazol-4-yl...)
Show SMILES CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1
Show InChI InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


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


(Homo sapiens (Human))
BDBM81909
PNG
(N-benzyl-4-fluoro-N-((4-hydroxyquinazolin-2-yl)met...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)
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1.43E+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...


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


(Homo sapiens (Human))
BDBM50226612
PNG
((R)-2-(2-aminoethylamino)-3-(1H-imidazol-4-yl)prop...)
Show SMILES NCCN[C@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


Citation and Details
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...


Citation and Details
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...


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


(Homo sapiens (Human))
BDBM47512
PNG
(1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...)
Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1
Show InChI InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3
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5.00E+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...


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


(Homo sapiens (Human))
BDBM81903
PNG
(2-amino-3-(1-aminoisoquinolin-7-yl)propanoic acid,...)
Show SMILES NC(Cc1ccc2ccnc(N)c2c1)C(O)=O
Show InChI InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)
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1.45E+5n/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...


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


(Homo sapiens (Human))
BDBM81902
PNG
(2-Amino-3-(1-aminoisoquinolin-6-yl)propanoic acid,...)
Show SMILES NC(Cc1ccc2c(N)nccc2c1)C(O)=O
Show InChI InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)
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2.20E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
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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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


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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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...


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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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


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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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


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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n/an/a 1.80n/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))
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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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


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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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)


Citation and Details
More data for this
Ligand-Target Pair
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