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PubMed code 15177456

Compile data set for download or QSAR
Found 17 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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148365
PNG
(2-{3-[4-(3,5-Bis-trifluoromethyl-benzyloxy)-phenyl...)
Show SMILES FC(F)(F)c1cc(COc2ccc(CCC(c3ccccc3)n3oc(=O)[nH]c3=O)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H20F6N2O4/c27-25(28,29)19-12-17(13-20(14-19)26(30,31)32)15-37-21-9-6-16(7-10-21)8-11-22(18-4-2-1-3-5-18)34-23(35)33-24(36)38-34/h1-7,9-10,12-14,22H,8,11,15H2,(H,33,35,36)
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n/an/a 390n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148366
PNG
(2-{3-[4-(3-Chloro-benzyloxy)-phenyl]-1-phenyl-prop...)
Show SMILES Clc1cccc(COc2ccc(CCC(c3ccccc3)n3oc(=O)[nH]c3=O)cc2)c1
Show InChI InChI=1S/C24H21ClN2O4/c25-20-8-4-5-18(15-20)16-30-21-12-9-17(10-13-21)11-14-22(19-6-2-1-3-7-19)27-23(28)26-24(29)31-27/h1-10,12-13,15,22H,11,14,16H2,(H,26,28,29)
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n/an/a 680n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50085942
PNG
(2-{(E)-3-[3-(3,5-Dichloro-phenoxy)-phenyl]-hept-2-...)
Show SMILES CCCC\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C21H20Cl2N2O4/c1-2-3-5-14(8-9-25-20(26)24-21(27)29-25)15-6-4-7-18(10-15)28-19-12-16(22)11-17(23)13-19/h4,6-8,10-13H,2-3,5,9H2,1H3,(H,24,26,27)/b14-8+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148358
PNG
(2-{(E)-3-[3,5-Bis-(4-chloro-benzyloxy)-phenyl]-all...)
Show SMILES Clc1ccc(COc2cc(OCc3ccc(Cl)cc3)cc(\C=C\Cn3oc(=O)[nH]c3=O)c2)cc1
Show InChI InChI=1S/C25H20Cl2N2O5/c26-20-7-3-17(4-8-20)15-32-22-12-19(2-1-11-29-24(30)28-25(31)34-29)13-23(14-22)33-16-18-5-9-21(27)10-6-18/h1-10,12-14H,11,15-16H2,(H,28,30,31)/b2-1+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148359
PNG
(2-[3-(3-m-Tolyloxy-phenyl)-heptyl]-[1,2,4]oxadiazo...)
Show SMILES CCCCC(CCn1oc(=O)[nH]c1=O)c1cccc(Oc2cccc(C)c2)c1
Show InChI InChI=1S/C22H26N2O4/c1-3-4-8-17(12-13-24-21(25)23-22(26)28-24)18-9-6-11-20(15-18)27-19-10-5-7-16(2)14-19/h5-7,9-11,14-15,17H,3-4,8,12-13H2,1-2H3,(H,23,25,26)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148360
PNG
(2-{(E)-3-[3-(Biphenyl-2-ylmethoxy)-phenyl]-but-2-e...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2ccccc2-c2ccccc2)c1
Show InChI InChI=1S/C25H22N2O4/c1-18(14-15-27-24(28)26-25(29)31-27)20-11-7-12-22(16-20)30-17-21-10-5-6-13-23(21)19-8-3-2-4-9-19/h2-14,16H,15,17H2,1H3,(H,26,28,29)/b18-14+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148367
PNG
(2-{(E)-3-[3,5-Bis-(4-trifluoromethyl-benzyloxy)-ph...)
Show SMILES FC(F)(F)c1ccc(COc2cc(OCc3ccc(cc3)C(F)(F)F)cc(\C=C\Cn3oc(=O)[nH]c3=O)c2)cc1
Show InChI InChI=1S/C27H20F6N2O5/c28-26(29,30)20-7-3-17(4-8-20)15-38-22-12-19(2-1-11-35-24(36)34-25(37)40-35)13-23(14-22)39-16-18-5-9-21(10-6-18)27(31,32)33/h1-10,12-14H,11,15-16H2,(H,34,36,37)/b2-1+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148368
PNG
(2-{(E)-3-[4-(3,4-Dichloro-benzyloxy)-3-methoxy-phe...)
Show SMILES COc1cc(\C=C\Cn2oc(=O)[nH]c2=O)ccc1OCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O5/c1-26-17-10-12(3-2-8-23-18(24)22-19(25)28-23)5-7-16(17)27-11-13-4-6-14(20)15(21)9-13/h2-7,9-10H,8,11H2,1H3,(H,22,24,25)/b3-2+
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n/an/a 3.22E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148363
PNG
(2-{(E)-3-[2-Chloro-5-(3,4-dichloro-benzyloxy)-phen...)
Show SMILES Clc1ccc(COc2ccc(Cl)c(\C=C\Cn3oc(=O)[nH]c3=O)c2)cc1Cl
Show InChI InChI=1S/C18H13Cl3N2O4/c19-14-6-4-13(26-10-11-3-5-15(20)16(21)8-11)9-12(14)2-1-7-23-17(24)22-18(25)27-23/h1-6,8-9H,7,10H2,(H,22,24,25)/b2-1+
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n/an/a 3.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50085963
PNG
(2-{(E)-3-[3-(3,5-Bis-trifluoromethyl-phenoxymethyl...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(COc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C21H16F6N2O4/c1-12(5-6-29-18(30)28-19(31)33-29)14-4-2-3-13(7-14)11-32-17-9-15(20(22,23)24)8-16(10-17)21(25,26)27/h2-5,7-10H,6,11H2,1H3,(H,28,30,31)/b12-5+
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n/an/a 5.29E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148364
PNG
(2-{(E)-1-Methyl-3-[4-(3-trifluoromethyl-benzyloxy)...)
Show SMILES CC(\C=C\c1ccc(OCc2cccc(c2)C(F)(F)F)cc1)n1oc(=O)[nH]c1=O
Show InChI InChI=1S/C20H17F3N2O4/c1-13(25-18(26)24-19(27)29-25)5-6-14-7-9-17(10-8-14)28-12-15-3-2-4-16(11-15)20(21,22)23/h2-11,13H,12H2,1H3,(H,24,26,27)/b6-5+
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n/an/a 5.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148361
PNG
(2-{(E)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-met...)
Show SMILES CC(\C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)n1oc(=O)[nH]c1=O
Show InChI InChI=1S/C19H16Cl2N2O4/c1-12(23-18(24)22-19(25)27-23)2-3-13-4-7-15(8-5-13)26-11-14-6-9-16(20)17(21)10-14/h2-10,12H,11H2,1H3,(H,22,24,25)/b3-2+
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n/an/a 6.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148362
PNG
(2-{(Z)-3-[3-(3,5-Bis-trifluoromethyl-phenoxymethyl...)
Show SMILES C\C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(COc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C21H16F6N2O4/c1-12(5-6-29-18(30)28-19(31)33-29)14-4-2-3-13(7-14)11-32-17-9-15(20(22,23)24)8-16(10-17)21(25,26)27/h2-5,7-10H,6,11H2,1H3,(H,28,30,31)/b12-5-
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n/an/a 7.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148357
PNG
(2-{(E)-3-[4-(3,5-Bis-trifluoromethyl-benzyloxy)-ph...)
Show SMILES CC\C(=C/Cn1oc(=O)[nH]c1=O)c1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C22H18F6N2O4/c1-2-14(7-8-30-19(31)29-20(32)34-30)15-3-5-18(6-4-15)33-12-13-9-16(21(23,24)25)11-17(10-13)22(26,27)28/h3-7,9-11H,2,8,12H2,1H3,(H,29,31,32)/b14-7+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50085960
PNG
(2-{(E)-3-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-ph...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C21H16F6N2O4/c1-12(5-6-29-18(30)28-19(31)33-29)14-3-2-4-17(9-14)32-11-13-7-15(20(22,23)24)10-16(8-13)21(25,26)27/h2-5,7-10H,6,11H2,1H3,(H,28,30,31)/b12-5+
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n/an/a 9.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50148356
PNG
(2-{(E)-3-[4-(3,5-Bis-trifluoromethyl-benzyloxy)-ph...)
Show SMILES FC(F)(F)c1cc(COc2ccc(\C=C\Cn3oc(=O)[nH]c3=O)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H14F6N2O4/c21-19(22,23)14-8-13(9-15(10-14)20(24,25)26)11-31-16-5-3-12(4-6-16)2-1-7-28-17(29)27-18(30)32-28/h1-6,8-10H,7,11H2,(H,27,29,30)/b2-1+
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n/an/a 1.49E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50085953
PNG
(2-{(E)-3-[3-(Pyridin-2-ylmethoxy)-phenyl]-but-2-en...)
Show SMILES C\C(=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2ccccn2)c1
Show InChI InChI=1S/C18H17N3O4/c1-13(8-10-21-17(22)20-18(23)25-21)14-5-4-7-16(11-14)24-12-15-6-2-3-9-19-15/h2-9,11H,10,12H2,1H3,(H,20,22,23)/b13-8+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Invitro concentration of the compound required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentrat...


Bioorg Med Chem Lett 14: 3477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.058
BindingDB Entry DOI: 10.7270/Q28C9VQ2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%