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Compile Data Set for Download or QSAR

Found 133 hits from AtheroGenics, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141477
PNG
(CHEMBL39656 | {2,6-Dimethoxy-4-[(E)-3-(2-methoxy-5...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OCC(O)=O)c(OC)c1)-c1cccs1
Show InChI InChI=1S/C24H22O7S/c1-28-19-9-7-16(22-5-4-10-32-22)11-15(19)6-8-18(25)17-12-20(29-2)24(21(13-17)30-3)31-14-23(26)27/h4-13H,14H2,1-3H3,(H,26,27)/b8-6+
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n/an/a 1.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141481
PNG
((E)-3-(5-Benzo[b]thiophen-2-yl-2,4-dimethoxy-pheny...)
Show SMILES COc1cc(OC)c(cc1\C=C\C(=O)c1cc(OC)c(O)c(OC)c1)-c1cc2ccccc2s1
Show InChI InChI=1S/C27H24O6S/c1-30-21-15-22(31-2)19(26-14-17-7-5-6-8-25(17)34-26)11-16(21)9-10-20(28)18-12-23(32-3)27(29)24(13-18)33-4/h5-15,29H,1-4H3/b10-9+
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n/an/a 1.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141488
PNG
((E)-1-(2,2-Dihydroxy-benzo[1,3]dioxol-5-yl)-3-(3,4...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc3OC(O)(O)Oc3c2)cc(-c2cccs2)c1OC
Show InChI InChI=1S/C22H18O7S/c1-26-19-11-13(10-15(21(19)27-2)20-4-3-9-30-20)5-7-16(23)14-6-8-17-18(12-14)29-22(24,25)28-17/h3-12,24-25H,1-2H3/b7-5+
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n/an/a 1.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141495
PNG
(CHEMBL37662 | [4-Benzo[b]thiophen-2-yl-5-methoxy-2...)
Show SMILES COc1cc(OCC(O)=O)c(\C=C\C(=O)c2ccccc2)cc1-c1cc2ccccc2s1
Show InChI InChI=1S/C26H20O5S/c1-30-23-15-22(31-16-26(28)29)18(11-12-21(27)17-7-3-2-4-8-17)13-20(23)25-14-19-9-5-6-10-24(19)32-25/h2-15H,16H2,1H3,(H,28,29)/b12-11+
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n/an/a 1.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141507
PNG
(CHEMBL37663 | {4-[(E)-3-(5-Benzo[b]thiophen-2-yl-2...)
Show SMILES COc1cc(OC)c(cc1\C=C\C(=O)c1ccc(SCC(O)=O)cc1)-c1cc2ccccc2s1
Show InChI InChI=1S/C27H22O5S2/c1-31-23-15-24(32-2)21(26-14-19-5-3-4-6-25(19)34-26)13-18(23)9-12-22(28)17-7-10-20(11-8-17)33-16-27(29)30/h3-15H,16H2,1-2H3,(H,29,30)/b12-9+
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n/an/a 1.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141536
PNG
(CHEMBL39896 | {4-[(E)-3-(3,4-Dimethoxy-5-thiophen-...)
Show SMILES COc1cc(\C=C\C(=O)c2cc(OC)c(OCC(O)=O)c(OC)c2)cc(-c2cccs2)c1OC
Show InChI InChI=1S/C25H24O8S/c1-29-19-11-15(10-17(24(19)32-4)22-6-5-9-34-22)7-8-18(26)16-12-20(30-2)25(21(13-16)31-3)33-14-23(27)28/h5-13H,14H2,1-4H3,(H,27,28)/b8-7+
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n/an/a 1.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141529
PNG
((E)-1-[3,5-Dimethoxy-4-(4-methoxy-benzyloxy)-pheny...)
Show SMILES COc1ccc(COc2c(OC)cc(cc2OC)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C28H30O8/c1-30-21-10-7-18(8-11-21)17-36-28-25(33-4)15-20(16-26(28)34-5)22(29)12-9-19-13-23(31-2)27(35-6)24(14-19)32-3/h7-16H,17H2,1-6H3/b12-9+
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n/an/a 1.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141548
PNG
((E)-3-(5-Bromo-2-methoxy-phenyl)-1-(3,4,5-trimetho...)
Show SMILES COc1ccc(Br)cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H19BrO5/c1-22-16-8-6-14(20)9-12(16)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,1-4H3/b7-5+
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n/an/a 1.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141484
PNG
((E)-1-(3,4-Dimethoxy-phenyl)-3-[2-methoxy-5-(4-met...)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cc(ccc1OC)-c1cc(C)cs1
Show InChI InChI=1S/C23H22O4S/c1-15-11-23(28-14-15)18-7-9-20(25-2)17(12-18)5-8-19(24)16-6-10-21(26-3)22(13-16)27-4/h5-14H,1-4H3/b8-5+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141487
PNG
((E)-3-(3-Bromo-4,5-dimethoxy-phenyl)-1-(2,4,5-trim...)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)\C=C\c1cc(Br)c(OC)c(OC)c1
Show InChI InChI=1S/C20H21BrO6/c1-23-16-11-18(25-3)17(24-2)10-13(16)15(22)7-6-12-8-14(21)20(27-5)19(9-12)26-4/h6-11H,1-5H3/b7-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141494
PNG
((E)-1-[3,5-Dimethoxy-4-(3-methoxy-benzo[1,4]dioxin...)
Show SMILES COC1=C(Oc2ccccc2O1)c1c(OC)cc(cc1OC)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H28O9/c1-31-22-15-18(19(30)12-11-17-13-24(33-3)27(35-5)25(14-17)34-4)16-23(32-2)26(22)28-29(36-6)38-21-10-8-7-9-20(21)37-28/h7-16H,1-6H3/b12-11+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141496
PNG
((E)-3-(5-Benzo[b]thiophen-2-yl-2-methoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cc(ccc1OC)-c1cc2ccccc2s1
Show InChI InChI=1S/C26H22O4S/c1-28-22-12-10-20(26-16-19-6-4-5-7-25(19)31-26)14-18(22)8-11-21(27)17-9-13-23(29-2)24(15-17)30-3/h4-16H,1-3H3/b11-8+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141497
PNG
((E)-3-(3,4-Difluoro-phenyl)-1-(2-methoxy-4-thiophe...)
Show SMILES COc1cc(ccc1C(=O)\C=C\c1ccc(F)c(F)c1)-c1cccs1
Show InChI InChI=1S/C20H14F2O2S/c1-24-19-12-14(20-3-2-10-25-20)6-7-15(19)18(23)9-5-13-4-8-16(21)17(22)11-13/h2-12H,1H3/b9-5+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141508
PNG
((E)-1-(3,4-Dimethoxy-phenyl)-3-[2-methoxy-5-(5-met...)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cc(ccc1OC)-c1ccc(C)s1
Show InChI InChI=1S/C23H22O4S/c1-15-5-12-23(28-15)18-8-10-20(25-2)17(13-18)6-9-19(24)16-7-11-21(26-3)22(14-16)27-4/h5-14H,1-4H3/b9-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141516
PNG
((E)-1-(3,5-Dimethoxy-phenyl)-3-(2-methoxy-5-thioph...)
Show SMILES COc1cc(OC)cc(c1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1
Show InChI InChI=1S/C22H20O4S/c1-24-18-12-17(13-19(14-18)25-2)20(23)8-6-15-11-16(7-9-21(15)26-3)22-5-4-10-27-22/h4-14H,1-3H3/b8-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141526
PNG
((E)-3-[2-Methoxy-5-(5-methyl-thiophen-2-yl)-phenyl...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1ccc(C)s1
Show InChI InChI=1S/C24H24O5S/c1-15-6-11-23(30-15)17-8-10-20(26-2)16(12-17)7-9-19(25)18-13-21(27-3)24(29-5)22(14-18)28-4/h6-14H,1-5H3/b9-7+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141524
PNG
((E)-1-[4-(3,4-Dimethoxy-benzyloxy)-3,5-dimethoxy-p...)
Show SMILES COc1ccc(COc2c(OC)cc(cc2OC)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C29H32O9/c1-31-22-11-9-19(14-23(22)32-2)17-38-29-26(35-5)15-20(16-27(29)36-6)21(30)10-8-18-12-24(33-3)28(37-7)25(13-18)34-4/h8-16H,17H2,1-7H3/b10-8+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141525
PNG
((E)-1-(2,5-Dimethoxy-phenyl)-3-(2-methoxy-5-thioph...)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1
Show InChI InChI=1S/C22H20O4S/c1-24-17-8-11-21(26-3)18(14-17)19(23)9-6-15-13-16(7-10-20(15)25-2)22-5-4-12-27-22/h4-14H,1-3H3/b9-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141527
PNG
((E)-1-[4-(3,4-Dimethoxy-benzyloxy)-3-methoxy-pheny...)
Show SMILES COc1ccc(COc2ccc(cc2OC)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C28H30O8/c1-30-22-11-8-19(15-24(22)31-2)17-36-23-12-9-20(16-25(23)32-3)21(29)10-7-18-13-26(33-4)28(35-6)27(14-18)34-5/h7-16H,17H2,1-6H3/b10-7+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141534
PNG
((E)-3-(5-Benzo[b]thiophen-2-yl-2-methoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1cc2ccccc2s1
Show InChI InChI=1S/C27H24O5S/c1-29-22-12-10-19(26-16-18-7-5-6-8-25(18)33-26)13-17(22)9-11-21(28)20-14-23(30-2)27(32-4)24(15-20)31-3/h5-16H,1-4H3/b11-9+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141538
PNG
((E)-3-(2,4-Dimethoxy-5-thiophen-2-yl-phenyl)-1-(2,...)
Show SMILES COc1cc(OC)c(cc1\C=C\C(=O)c1ccc(OC)c(OC)c1OC)-c1cccs1
Show InChI InChI=1S/C24H24O6S/c1-26-19-11-9-16(23(29-4)24(19)30-5)18(25)10-8-15-13-17(22-7-6-12-31-22)21(28-3)14-20(15)27-2/h6-14H,1-5H3/b10-8+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141544
PNG
((E)-3-[2-Methoxy-5-(4-methyl-thiophen-2-yl)-phenyl...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1cc(C)cs1
Show InChI InChI=1S/C24H24O5S/c1-15-10-23(30-14-15)17-7-9-20(26-2)16(11-17)6-8-19(25)18-12-21(27-3)24(29-5)22(13-18)28-4/h6-14H,1-5H3/b8-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141549
PNG
((E)-3-(5-Bromo-2,4-dimethoxy-phenyl)-1-(3,4,5-trim...)
Show SMILES COc1cc(OC)c(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br
Show InChI InChI=1S/C20H21BrO6/c1-23-16-11-17(24-2)14(21)8-12(16)6-7-15(22)13-9-18(25-3)20(27-5)19(10-13)26-4/h6-11H,1-5H3/b7-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
VCAM-1


(Homo sapiens (human))
BDBM50101944
PNG
(4-Chloro-N,N-diethyl-3-nitro-benzenesulfonamide | ...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H13ClN2O4S/c1-3-12(4-2)18(16,17)8-5-6-9(11)10(7-8)13(14)15/h5-7H,3-4H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit expression of Vascular cell adhesion molecule 1


Bioorg Med Chem Lett 11: 1823-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00306-7
BindingDB Entry DOI: 10.7270/Q2MC8Z86
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141476
PNG
((E)-3-(2-Methoxy-5-thiophen-2-yl-phenyl)-1-(3,4,5-...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1cccs1
Show InChI InChI=1S/C23H22O5S/c1-25-19-10-8-16(22-6-5-11-29-22)12-15(19)7-9-18(24)17-13-20(26-2)23(28-4)21(14-17)27-3/h5-14H,1-4H3/b9-7+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141482
PNG
((E)-1-[3,5-Dimethoxy-4-(thiophen-2-ylmethoxy)-phen...)
Show SMILES COc1cc(\C=C\C(=O)c2cc(OC)c(OCc3cccs3)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C25H26O7S/c1-27-20-11-16(12-21(28-2)24(20)31-5)8-9-19(26)17-13-22(29-3)25(23(14-17)30-4)32-15-18-7-6-10-33-18/h6-14H,15H2,1-5H3/b9-8+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141480
PNG
((E)-1-(3,4-Dimethoxy-phenyl)-3-(2-methoxy-5-thioph...)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1
Show InChI InChI=1S/C22H20O4S/c1-24-19-10-8-17(22-5-4-12-27-22)13-16(19)6-9-18(23)15-7-11-20(25-2)21(14-15)26-3/h4-14H,1-3H3/b9-6+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141490
PNG
((E)-1-Benzo[1,3]dioxol-5-yl-3-[2-methoxy-5-(5-meth...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1ccc2OCOc2c1)-c1ccc(C)s1
Show InChI InChI=1S/C22H18O4S/c1-14-3-10-22(27-14)17-6-8-19(24-2)16(11-17)4-7-18(23)15-5-9-20-21(12-15)26-13-25-20/h3-12H,13H2,1-2H3/b7-4+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141491
PNG
((E)-1-(2,6-Dimethoxy-phenyl)-3-(2-methoxy-5-thioph...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1c(OC)cccc1OC)-c1cccs1
Show InChI InChI=1S/C22H20O4S/c1-24-18-12-10-16(21-8-5-13-27-21)14-15(18)9-11-17(23)22-19(25-2)6-4-7-20(22)26-3/h4-14H,1-3H3/b11-9+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141509
PNG
((E)-3-(5-Benzo[b]thiophen-2-yl-2-methoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc(ccc1OC)-c1cc2ccccc2s1
Show InChI InChI=1S/C25H20O3S/c1-27-21-11-7-17(8-12-21)22(26)13-9-18-15-20(10-14-23(18)28-2)25-16-19-5-3-4-6-24(19)29-25/h3-16H,1-2H3/b13-9+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141510
PNG
((E)-1-[4-(Benzo[1,3]dioxol-5-ylmethoxy)-3,5-dimeth...)
Show SMILES COc1cc(\C=C\C(=O)c2cc(OC)c(OCc3ccc4OCOc4c3)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C28H28O9/c1-30-23-10-17(11-24(31-2)27(23)34-5)6-8-20(29)19-13-25(32-3)28(26(14-19)33-4)35-15-18-7-9-21-22(12-18)37-16-36-21/h6-14H,15-16H2,1-5H3/b8-6+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141514
PNG
((E)-1-[3,5-Dimethoxy-4-(3,4,5-trimethoxy-benzyloxy...)
Show SMILES COc1cc(COc2c(OC)cc(cc2OC)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C30H34O10/c1-32-22-11-18(12-23(33-2)28(22)38-7)9-10-21(31)20-15-26(36-5)30(27(16-20)37-6)40-17-19-13-24(34-3)29(39-8)25(14-19)35-4/h9-16H,17H2,1-8H3/b10-9+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141519
PNG
((E)-1-[4-(Furan-2-ylmethoxy)-3,5-dimethoxy-phenyl]...)
Show SMILES COc1cc(\C=C\C(=O)c2cc(OC)c(OCc3ccco3)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C25H26O8/c1-27-20-11-16(12-21(28-2)24(20)31-5)8-9-19(26)17-13-22(29-3)25(23(14-17)30-4)33-15-18-7-6-10-32-18/h6-14H,15H2,1-5H3/b9-8+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141520
PNG
((E)-1-[3-Methoxy-4-(pyridin-3-ylmethoxy)-phenyl]-3...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1ccc(OCc2cccnc2)c(OC)c1)-c1cccs1
Show InChI InChI=1S/C27H23NO4S/c1-30-24-11-9-22(27-6-4-14-33-27)15-21(24)7-10-23(29)20-8-12-25(26(16-20)31-2)32-18-19-5-3-13-28-17-19/h3-17H,18H2,1-2H3/b10-7+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141521
PNG
((E)-1-(4-Methoxy-phenyl)-3-(2-methoxy-5-thiophen-2...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1
Show InChI InChI=1S/C21H18O3S/c1-23-18-9-5-15(6-10-18)19(22)11-7-16-14-17(8-12-20(16)24-2)21-4-3-13-25-21/h3-14H,1-2H3/b11-7+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141540
PNG
((E)-3-(2-Methoxy-5-thiophen-2-yl-phenyl)-1-(2,4,6-...)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2cc(ccc2OC)-c2cccs2)c(OC)c1
Show InChI InChI=1S/C23H22O5S/c1-25-17-13-20(27-3)23(21(14-17)28-4)18(24)9-7-15-12-16(8-10-19(15)26-2)22-6-5-11-29-22/h5-14H,1-4H3/b9-7+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141542
PNG
((E)-1-[3-Methoxy-4-(pyridin-2-ylmethoxy)-phenyl]-3...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1ccc(OCc2ccccn2)c(OC)c1)-c1cccs1
Show InChI InChI=1S/C27H23NO4S/c1-30-24-12-10-21(27-7-5-15-33-27)16-20(24)8-11-23(29)19-9-13-25(26(17-19)31-2)32-18-22-6-3-4-14-28-22/h3-17H,18H2,1-2H3/b11-8+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141541
PNG
((E)-3-[3-(5-Acetyl-thiophen-2-yl)-4,5-dimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C=Cc1cc(OC)c(OC)c(c1)-c1ccc(s1)C(C)=O
Show InChI InChI=1S/C26H26O7S/c1-15(27)23-9-10-24(34-23)18-11-16(12-20(29-2)25(18)32-5)7-8-19(28)17-13-21(30-3)26(33-6)22(14-17)31-4/h7-14H,1-6H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141539
PNG
((E)-1-(4,6,2',4'-Tetramethoxy-biphenyl-3-yl)-3-(3,...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)c(OC)cc1OC
Show InChI InChI=1S/C28H30O8/c1-30-18-9-10-19(23(14-18)31-2)20-15-21(25(33-4)16-24(20)32-3)22(29)11-8-17-12-26(34-5)28(36-7)27(13-17)35-6/h8-16H,1-7H3/b11-8+
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n/an/a 3.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
VCAM-1


(Homo sapiens (human))
BDBM50101959
PNG
(1-(4-Chloro-3-nitro-benzenesulfonyl)-pyrrolidine |...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C10H11ClN2O4S/c11-9-4-3-8(7-10(9)13(14)15)18(16,17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit expression of Vascular cell adhesion molecule 1


Bioorg Med Chem Lett 11: 1823-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00306-7
BindingDB Entry DOI: 10.7270/Q2MC8Z86
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141502
PNG
((E)-1-[3-Methoxy-4-(3-methoxy-benzo[1,4]dioxin-2-y...)
Show SMILES COC1=C(Oc2ccccc2O1)c1ccc(cc1OC)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H26O8/c1-30-23-16-18(20(29)13-10-17-14-24(31-2)27(33-4)25(15-17)32-3)11-12-19(23)26-28(34-5)36-22-9-7-6-8-21(22)35-26/h6-16H,1-5H3/b13-10+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141501
PNG
((E)-3-(3-Bromo-4,5-dimethoxy-phenyl)-1-(3,4,5-trim...)
Show SMILES COc1cc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC
Show InChI InChI=1S/C20H21BrO6/c1-23-16-9-12(8-14(21)19(16)26-4)6-7-15(22)13-10-17(24-2)20(27-5)18(11-13)25-3/h6-11H,1-5H3/b7-6+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141513
PNG
((E)-3-(4-Ethoxy-3-fluoro-phenyl)-1-(2-methoxy-5-th...)
Show SMILES CCOc1ccc(\C=C\C(=O)c2cc(ccc2OC)-c2cccs2)cc1F
Show InChI InChI=1S/C22H19FO3S/c1-3-26-21-10-7-15(13-18(21)23)6-9-19(24)17-14-16(8-11-20(17)25-2)22-5-4-12-27-22/h4-14H,3H2,1-2H3/b9-6+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141517
PNG
(2-{5-Methoxy-2-[(E)-3-oxo-3-(4-trifluoromethyl-phe...)
Show SMILES COc1cc(OC(C)(C)C(O)=O)c(\C=C\C(=O)c2ccc(cc2)C(F)(F)F)cc1-c1cccs1
Show InChI InChI=1S/C25H21F3O5S/c1-24(2,23(30)31)33-20-14-21(32-3)18(22-5-4-12-34-22)13-16(20)8-11-19(29)15-6-9-17(10-7-15)25(26,27)28/h4-14H,1-3H3,(H,30,31)/b11-8+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141523
PNG
((E)-1-(3'-Acetyl-3-methoxy-biphenyl-4-yl)-3-(3,4,5...)
Show SMILES COc1cc(C=CC(=O)c2ccc(cc2OC)-c2cccc(c2)C(C)=O)cc(OC)c1OC
Show InChI InChI=1S/C27H26O6/c1-17(28)19-7-6-8-20(15-19)21-10-11-22(24(16-21)30-2)23(29)12-9-18-13-25(31-3)27(33-5)26(14-18)32-4/h6-16H,1-5H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141522
PNG
((E)-1-[3-Methoxy-4-(pyridin-4-ylmethoxy)-phenyl]-3...)
Show SMILES COc1cc(ccc1OCc1ccncc1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1
Show InChI InChI=1S/C27H23NO4S/c1-30-24-9-7-22(27-4-3-15-33-27)16-21(24)5-8-23(29)20-6-10-25(26(17-20)31-2)32-18-19-11-13-28-14-12-19/h3-17H,18H2,1-2H3/b8-5+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141530
PNG
((E)-1-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-5-thiophe...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1ccc2OCOc2c1)-c1cccs1
Show InChI InChI=1S/C21H16O4S/c1-23-18-8-6-16(21-3-2-10-26-21)11-15(18)4-7-17(22)14-5-9-19-20(12-14)25-13-24-19/h2-12H,13H2,1H3/b7-4+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141547
PNG
(4-{2-Methoxy-4-[(E)-3-(2-methoxy-5-thiophen-2-yl-p...)
Show SMILES CCOC(=O)c1ccc(COc2ccc(cc2OC)C(=O)\C=C\c2cc(ccc2OC)-c2cccs2)cc1
Show InChI InChI=1S/C31H28O6S/c1-4-36-31(33)22-9-7-21(8-10-22)20-37-28-16-12-23(19-29(28)35-3)26(32)14-11-24-18-25(13-15-27(24)34-2)30-6-5-17-38-30/h5-19H,4,20H2,1-3H3/b14-11+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141546
PNG
((E)-1-Benzo[1,3]dioxol-5-yl-3-[2-methoxy-5-(4-meth...)
Show SMILES COc1ccc(cc1\C=C\C(=O)c1ccc2OCOc2c1)-c1cc(C)cs1
Show InChI InChI=1S/C22H18O4S/c1-14-9-22(27-12-14)17-5-7-19(24-2)16(10-17)3-6-18(23)15-4-8-20-21(11-15)26-13-25-20/h3-12H,13H2,1-2H3/b6-3+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50141543
PNG
((E)-1-(4-Fluoro-phenyl)-3-(4-fluoro-3-thiophen-2-y...)
Show SMILES Fc1ccc(cc1)C(=O)\C=C\c1ccc(F)c(c1)-c1cccs1
Show InChI InChI=1S/C19H12F2OS/c20-15-7-5-14(6-8-15)18(22)10-4-13-3-9-17(21)16(12-13)19-2-1-11-23-19/h1-12H/b10-4+
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n/an/a 4.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
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