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Compile Data Set for Download or QSAR

Found 43 hits of ki data for polymerid = 5887   
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 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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0.75n/an/an/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))
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
BindingDB Entry DOI: 10.7270/Q2J1038R
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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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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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...


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


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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...


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


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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...


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


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)
PDB
MMDB

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UniProtKB/SwissProt

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PubMed
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...


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


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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...


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


Article DOI: 10.1111/j.1747-0285.2008.00752.x
BindingDB Entry DOI: 10.7270/Q2QN658M
More data for this
Ligand-Target Pair