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PubMed code 15080996

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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))
BDBM50144342
PNG
(3-((1R,3S)-3-Amino-cyclopentyl)-2-[1-(3,3-dimethyl...)
Show SMILES CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O
Show InChI InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144336
PNG
(3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(3-methyl-b...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O
Show InChI InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(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
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50144333
PNG
(3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(4-methyl-p...)
Show SMILES CC(C)CCCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O
Show InChI InChI=1S/C18H26N4O2/c1-12(2)5-4-6-22-10-16(21-11-22)15(18(23)24)8-14-7-13(3)17(19)20-9-14/h7,9-12,15H,4-6,8H2,1-3H3,(H2,19,20)(H,23,24)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50144337
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(4-methyl-pentyl)-1H...)
Show SMILES CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(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 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144333
PNG
(3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(4-methyl-p...)
Show SMILES CC(C)CCCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O
Show InChI InChI=1S/C18H26N4O2/c1-12(2)5-4-6-22-10-16(21-11-22)15(18(23)24)8-14-7-13(3)17(19)20-9-14/h7,9-12,15H,4-6,8H2,1-3H3,(H2,19,20)(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144316
PNG
(3-(6-Amino-5-methyl-pyridin-3-yl)-2-(1H-imidazol-4...)
Show SMILES Cc1cc(CC(C(O)=O)c2cnc[nH]2)cnc1N
Show InChI InChI=1S/C12H14N4O2/c1-7-2-8(4-15-11(7)13)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50144336
PNG
(3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(3-methyl-b...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O
Show InChI InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144317
PNG
(6-Amino-2-[1-(3-methyl-butyl)-1H-imidazol-4-yl]-he...)
Show SMILES CC(C)CCn1cnc(c1)C(CCCCN)C(O)=O
Show InChI InChI=1S/C14H25N3O2/c1-11(2)6-8-17-9-13(16-10-17)12(14(18)19)5-3-4-7-15/h9-12H,3-8,15H2,1-2H3,(H,18,19)
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144316
PNG
(3-(6-Amino-5-methyl-pyridin-3-yl)-2-(1H-imidazol-4...)
Show SMILES Cc1cc(CC(C(O)=O)c2cnc[nH]2)cnc1N
Show InChI InChI=1S/C12H14N4O2/c1-7-2-8(4-15-11(7)13)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)
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Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144325
PNG
(3-((1R,3S)-3-Amino-cyclopentyl)-2-(1-ethyl-1H-imid...)
Show SMILES CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O
Show InChI InChI=1S/C13H21N3O2/c1-2-16-7-12(15-8-16)11(13(17)18)6-9-3-4-10(14)5-9/h7-11H,2-6,14H2,1H3,(H,17,18)/t9-,10-,11?/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144325
PNG
(3-((1R,3S)-3-Amino-cyclopentyl)-2-(1-ethyl-1H-imid...)
Show SMILES CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O
Show InChI InChI=1S/C13H21N3O2/c1-2-16-7-12(15-8-16)11(13(17)18)6-9-3-4-10(14)5-9/h7-11H,2-6,14H2,1H3,(H,17,18)/t9-,10-,11?/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50144317
PNG
(6-Amino-2-[1-(3-methyl-butyl)-1H-imidazol-4-yl]-he...)
Show SMILES CC(C)CCn1cnc(c1)C(CCCCN)C(O)=O
Show InChI InChI=1S/C14H25N3O2/c1-11(2)6-8-17-9-13(16-10-17)12(14(18)19)5-3-4-7-15/h9-12H,3-8,15H2,1-2H3,(H,18,19)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50144322
PNG
(6-Amino-2-(1H-imidazol-4-yl)-5-methyl-hexanoic aci...)
Show SMILES CC(CN)CCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C10H17N3O2/c1-7(4-11)2-3-8(10(14)15)9-5-12-6-13-9/h5-8H,2-4,11H2,1H3,(H,12,13)(H,14,15)
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Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144320
PNG
(6-Amino-2-(1H-imidazol-4-yl)-5,5-dimethyl-hexanoic...)
Show SMILES CC(C)(CN)CCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C11H19N3O2/c1-11(2,6-12)4-3-8(10(15)16)9-5-13-7-14-9/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,14)(H,15,16)
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144334
PNG
(6-Amino-2-(1H-imidazol-4-yl)-hexanoic acid | CHEMB...)
Show SMILES NCCCCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)
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n/an/a 590n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144320
PNG
(6-Amino-2-(1H-imidazol-4-yl)-5,5-dimethyl-hexanoic...)
Show SMILES CC(C)(CN)CCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C11H19N3O2/c1-11(2,6-12)4-3-8(10(15)16)9-5-13-7-14-9/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,14)(H,15,16)
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50144322
PNG
(6-Amino-2-(1H-imidazol-4-yl)-5-methyl-hexanoic aci...)
Show SMILES CC(CN)CCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C10H17N3O2/c1-7(4-11)2-3-8(10(14)15)9-5-12-6-13-9/h5-8H,2-4,11H2,1H3,(H,12,13)(H,14,15)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50144323
PNG
(3-(6-Amino-4-methyl-pyridin-3-yl)-2-(1H-imidazol-4...)
Show SMILES Cc1cc(N)ncc1CC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C12H14N4O2/c1-7-2-11(13)15-4-8(7)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144329
PNG
(3-Imidazo[1,2-a]pyridin-6-yl-2-(1H-imidazol-4-yl)-...)
Show SMILES OC(=O)C(Cc1ccc2nccn2c1)c1cnc[nH]1
Show InChI InChI=1S/C13H12N4O2/c18-13(19)10(11-6-14-8-16-11)5-9-1-2-12-15-3-4-17(12)7-9/h1-4,6-8,10H,5H2,(H,14,16)(H,18,19)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144334
PNG
(6-Amino-2-(1H-imidazol-4-yl)-hexanoic acid | CHEMB...)
Show SMILES NCCCCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


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


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


(Homo sapiens (Human))
BDBM50144324
PNG
(7-Amino-2-(1H-imidazol-4-yl)-heptanoic acid | CHEM...)
Show SMILES NCCCCCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C10H17N3O2/c11-5-3-1-2-4-8(10(14)15)9-6-12-7-13-9/h6-8H,1-5,11H2,(H,12,13)(H,14,15)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144332
PNG
(3-(6-Amino-5-chloro-pyridin-3-yl)-2-(1H-imidazol-4...)
Show SMILES Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144339
PNG
(3-(6-Amino-2-methyl-pyridin-3-yl)-2-(1H-imidazol-4...)
Show SMILES Cc1nc(N)ccc1CC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C12H14N4O2/c1-7-8(2-3-11(13)16-7)4-9(12(17)18)10-5-14-6-15-10/h2-3,5-6,9H,4H2,1H3,(H2,13,16)(H,14,15)(H,17,18)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144327
PNG
(3-(6-Amino-5-fluoro-pyridin-3-yl)-2-(1H-imidazol-4...)
Show SMILES Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1F
Show InChI InChI=1S/C11H11FN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144321
PNG
(5-Amino-2-(1H-imidazol-4-yl)-pentanoic acid | CHEM...)
Show SMILES NCCCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C8H13N3O2/c9-3-1-2-6(8(12)13)7-4-10-5-11-7/h4-6H,1-3,9H2,(H,10,11)(H,12,13)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144341
PNG
(3-(4-Amino-cyclohexyl)-2-(1H-imidazol-4-yl)-propio...)
Show SMILES NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC1 |(5.49,-.09,;6.82,-.85,;8.17,-.09,;9.5,-.85,;9.5,-2.41,;10.84,-3.18,;12.36,-2.93,;12.92,-1.49,;14.43,-1.24,;11.94,-.29,;13.33,-4.13,;12.94,-5.62,;14.24,-6.46,;15.43,-5.49,;14.88,-4.05,;8.17,-3.18,;6.84,-2.41,)|
Show InChI InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144330
PNG
(3-(2-Amino-pyridin-4-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1cc(CC(C(O)=O)c2cnc[nH]2)ccn1
Show InChI InChI=1S/C11H12N4O2/c12-10-4-7(1-2-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144318
PNG
(2-(1H-Imidazol-4-yl)-3-(6-methylamino-pyridin-3-yl...)
Show SMILES CNc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C12H14N4O2/c1-13-11-3-2-8(5-15-11)4-9(12(17)18)10-6-14-7-16-10/h2-3,5-7,9H,4H2,1H3,(H,13,15)(H,14,16)(H,17,18)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144343
PNG
(3-(6-Amino-pyridin-2-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1
Show InChI InChI=1S/C11H12N4O2/c12-10-3-1-2-7(15-10)4-8(11(16)17)9-5-13-6-14-9/h1-3,5-6,8H,4H2,(H2,12,15)(H,13,14)(H,16,17)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144331
PNG
(4-Azepan-4-yl-2-(1H-imidazol-4-yl)-butyric acid | ...)
Show SMILES OC(=O)C(CCC1CCCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C13H21N3O2/c17-13(18)11(12-8-15-9-16-12)4-3-10-2-1-6-14-7-5-10/h8-11,14H,1-7H2,(H,15,16)(H,17,18)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144345
PNG
(2-(1H-Imidazol-4-yl)-4-piperidin-4-yl-butyric acid...)
Show SMILES OC(=O)C(CCC1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)2-1-9-3-5-13-6-4-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144344
PNG
(4-Azetidin-3-yl-2-(1H-imidazol-4-yl)-butyric acid ...)
Show SMILES OC(=O)C(CCC1CNC1)c1cnc[nH]1
Show InChI InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)2-1-7-3-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144315
PNG
(2-(1H-Imidazol-4-yl)-3-pyrrolidin-3-yl-propionic a...)
Show SMILES OC(=O)C(CC1CCNC1)c1cnc[nH]1
Show InChI InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)3-7-1-2-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144340
PNG
(2-(1H-Imidazol-4-yl)-3-piperidin-4-yl-propionic ac...)
Show SMILES OC(=O)C(CC1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)5-8-1-3-12-4-2-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144346
PNG
(3-(3-Amino-cyclohexyl)-2-(1H-imidazol-4-yl)-propio...)
Show SMILES NC1CCCC(CC(C(O)=O)c2cnc[nH]2)C1
Show InChI InChI=1S/C12H19N3O2/c13-9-3-1-2-8(4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144328
PNG
(3-Azetidin-3-yl-2-(1H-imidazol-4-yl)-propionic aci...)
Show SMILES OC(=O)C(CC1CNC1)c1cnc[nH]1
Show InChI InChI=1S/C9H13N3O2/c13-9(14)7(1-6-2-10-3-6)8-4-11-5-12-8/h4-7,10H,1-3H2,(H,11,12)(H,13,14)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144335
PNG
(2-(1H-Imidazol-4-yl)-4-pyrrolidin-3-yl-butyric aci...)
Show SMILES OC(=O)C(CCC1CCNC1)c1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)2-1-8-3-4-12-5-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144347
PNG
(3-Azepan-4-yl-2-(1H-imidazol-4-yl)-propionic acid ...)
Show SMILES OC(=O)C(CC1CCCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)6-9-2-1-4-13-5-3-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144319
PNG
(2-(1H-Imidazol-4-yl)-6-methylamino-hexanoic acid |...)
Show SMILES CNCCCCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C10H17N3O2/c1-11-5-3-2-4-8(10(14)15)9-6-12-7-13-9/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144338
PNG
(6-Dimethylamino-2-(1H-imidazol-4-yl)-hexanoic acid...)
Show SMILES CN(C)CCCCC(C(O)=O)c1cnc[nH]1
Show InChI InChI=1S/C11H19N3O2/c1-14(2)6-4-3-5-9(11(15)16)10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50144326
PNG
(3-(2-Amino-pyrimidin-5-yl)-2-(1H-imidazol-4-yl)-pr...)
Show SMILES Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C10H11N5O2/c11-10-13-2-6(3-14-10)1-7(9(16)17)8-4-12-5-15-8/h2-5,7H,1H2,(H,12,15)(H,16,17)(H2,11,13,14)
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n/an/a 6.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%