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Compile Data Set for Download or QSAR

Found 532 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carboxypeptidase B


(Sus scrofa)
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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0.420n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
More data for this
Ligand-Target Pair
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 |r|
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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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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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 [#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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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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 |r|
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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 |r|
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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 |r|
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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 |r|
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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 |r|
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(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 |r|
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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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(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 |r|
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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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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 |w:8.8|
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(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 |r|
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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49n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
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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206n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin-activatable fibrinolysis (TAFI)


(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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206n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(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 |r|
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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238n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(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 |r|
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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240n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(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 |r|
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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265n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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 |w:4.4|
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(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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360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
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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580n/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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
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 |r|
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


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296411
PNG
(1-(4-chlorophenyl)-2-(5-(2-hydroxyphenyl)-1,3,4-ox...)
Show SMILES Oc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1
Show InChI InChI=1S/C16H11ClN2O3S/c17-11-7-5-10(6-8-11)14(21)9-23-16-19-18-15(22-16)12-3-1-2-4-13(12)20/h1-8,20H,9H2
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1.00E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50270378
PNG
(CHEMBL516131 | trans-1,1,3,3-tetraisopropyl-2-(3-(...)
Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)[N+]([O-])=O)[Si](C)(C)C |r|
Show InChI InChI=1S/C23H42N3O3PSSi/c1-16(2)24(17(3)4)30(31,25(18(5)6)19(7)8)23(32(9,10)11)22(29-23)20-12-14-21(15-13-20)26(27)28/h12-19,22H,1-11H3/t22-,23+/m0/s1
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1.06E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B


Bioorg Med Chem 16: 4823-8 (2008)


Article DOI: 10.1016/j.bmc.2008.03.047
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50296412
PNG
(CHEMBL560871 | DL-guanidinoethylmercaptosuccinic a...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#16]-[#6](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)
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1.10E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(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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1.16E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296413
PNG
(CHEMBL551268 | N-benzyl-N-(4-phenylthiazol-2-yl)cy...)
Show SMILES O=C(C1CC1)N(Cc1ccccc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H18N2OS/c23-19(17-11-12-17)22(13-15-7-3-1-4-8-15)20-21-18(14-24-20)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
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1.20E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50296414
PNG
(CHEMBL552336 | N-(3-chlorophenyl)-4-((5-(3-methoxy...)
Show SMILES COc1cccc(CSc2nnc(Cc3csc(Nc4cccc(Cl)c4)n3)o2)c1
Show InChI InChI=1S/C20H17ClN4O2S2/c1-26-17-7-2-4-13(8-17)11-29-20-25-24-18(27-20)10-16-12-28-19(23-16)22-15-6-3-5-14(21)9-15/h2-9,12H,10-11H2,1H3,(H,22,23)
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1.20E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
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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1.20E+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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296415
PNG
(4-(5-(2-chlorobenzylthio)-1,3,4-oxadiazol-2-yl)-N-...)
Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1
Show InChI InChI=1S/C20H16ClN3O3S3/c21-18-6-2-1-4-15(18)13-29-20-24-23-19(27-20)14-7-9-17(10-8-14)30(25,26)22-12-16-5-3-11-28-16/h1-11,22H,12-13H2
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1.40E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
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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1.60E+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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
More data for this
Ligand-Target Pair
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