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PubMed code 16632356

Compile data set for download or QSAR
Found 22 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411056
PNG
(CHEMBL379760)
Show SMILES COc1ccc(cc1)N(C(=O)Nc1ccccc1Cl)c1ccnc(N[C@@H](C)C(C)(C)O)n1 |r|
Show InChI InChI=1S/C23H26ClN5O3/c1-15(23(2,3)31)26-21-25-14-13-20(28-21)29(16-9-11-17(32-4)12-10-16)22(30)27-19-8-6-5-7-18(19)24/h5-15,31H,1-4H3,(H,27,30)(H,25,26,28)/t15-/m0/s1
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Article
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n/an/a 92n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411064
PNG
(CHEMBL211282)
Show SMILES C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1)C(C)(C)O
Show InChI InChI=1S/C22H23ClFN5O2/c1-14(22(2,3)31)26-20-25-13-12-19(28-20)29(16-10-8-15(24)9-11-16)21(30)27-18-7-5-4-6-17(18)23/h4-14,31H,1-3H3,(H,27,30)(H,25,26,28)/t14-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411066
PNG
(CHEMBL211109)
Show SMILES COc1ccc(cc1)N(C(=O)Nc1ccccc1C)c1ccnc(N[C@@H](C)C(C)(C)O)n1
Show InChI InChI=1S/C24H29N5O3/c1-16-8-6-7-9-20(16)27-23(30)29(18-10-12-19(32-5)13-11-18)21-14-15-25-22(28-21)26-17(2)24(3,4)31/h6-15,17,31H,1-5H3,(H,27,30)(H,25,26,28)/t17-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411063
PNG
(CHEMBL211741)
Show SMILES C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1C)c1ccc(F)cc1)C(C)(C)O
Show InChI InChI=1S/C23H26FN5O2/c1-15-7-5-6-8-19(15)27-22(30)29(18-11-9-17(24)10-12-18)20-13-14-25-21(28-20)26-16(2)23(3,4)31/h5-14,16,31H,1-4H3,(H,27,30)(H,25,26,28)/t16-/m0/s1
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n/an/a 176n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411065
PNG
(CHEMBL209260)
Show SMILES Fc1ccc(cc1)N(C(=O)Nc1ccccc1Cl)c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H21ClFN5O2/c23-18-3-1-2-4-19(18)27-22(30)29(17-7-5-15(24)6-8-17)20-9-12-25-21(28-20)26-16-10-13-31-14-11-16/h1-9,12,16H,10-11,13-14H2,(H,27,30)(H,25,26,28)
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n/an/a 539n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411069
PNG
(CHEMBL378315)
Show SMILES C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccccc1)C(C)(C)O
Show InChI InChI=1S/C22H24ClN5O2/c1-15(22(2,3)30)25-20-24-14-13-19(27-20)28(16-9-5-4-6-10-16)21(29)26-18-12-8-7-11-17(18)23/h4-15,30H,1-3H3,(H,26,29)(H,24,25,27)/t15-/m0/s1
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n/an/a 718n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411068
PNG
(CHEMBL211944)
Show SMILES C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C25H21ClFN5O/c1-17(18-7-3-2-4-8-18)29-24-28-16-15-23(31-24)32(20-13-11-19(27)12-14-20)25(33)30-22-10-6-5-9-21(22)26/h2-17H,1H3,(H,30,33)(H,28,29,31)/t17-/m0/s1
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n/an/a 843n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411067
PNG
(CHEMBL212148)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C22H25N5O2/c1-16-9-7-8-12-19(16)25-22(28)27(18-10-5-4-6-11-18)20-13-14-23-21(26-20)24-17(2)15-29-3/h4-14,17H,15H2,1-3H3,(H,25,28)(H,23,24,26)/t17-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411071
PNG
(CHEMBL212150)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H28ClFN6O3S/c1-2-17-37(35,36)32-15-12-19(13-16-32)29-24-28-14-11-23(31-24)33(20-9-7-18(27)8-10-20)25(34)30-22-6-4-3-5-21(22)26/h3-11,14,19H,2,12-13,15-17H2,1H3,(H,30,34)(H,28,29,31)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411061
PNG
(CHEMBL209612)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1F)c1ccc(F)cc1
Show InChI InChI=1S/C21H21F2N5O2/c1-14(13-30-2)25-20-24-12-11-19(27-20)28(16-9-7-15(22)8-10-16)21(29)26-18-6-4-3-5-17(18)23/h3-12,14H,13H2,1-2H3,(H,26,29)(H,24,25,27)/t14-/m0/s1
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n/an/a 2.88E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411062
PNG
(CHEMBL385138)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C21H21ClFN5O2/c1-14(13-30-2)25-20-24-12-11-19(27-20)28(16-9-7-15(23)8-10-16)21(29)26-18-6-4-3-5-17(18)22/h3-12,14H,13H2,1-2H3,(H,26,29)(H,24,25,27)/t14-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411057
PNG
(CHEMBL212099)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C25H26ClFN6O3/c1-2-36-25(35)32-15-12-18(13-16-32)29-23-28-14-11-22(31-23)33(19-9-7-17(27)8-10-19)24(34)30-21-6-4-3-5-20(21)26/h3-11,14,18H,2,12-13,15-16H2,1H3,(H,30,34)(H,28,29,31)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411054
PNG
(CHEMBL212636)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1C)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN5O2/c1-15-6-4-5-7-19(15)26-22(29)28(18-10-8-17(23)9-11-18)20-12-13-24-21(27-20)25-16(2)14-30-3/h4-13,16H,14H2,1-3H3,(H,26,29)(H,24,25,27)/t16-/m0/s1
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n/an/a 3.65E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411053
PNG
(CHEMBL378853)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(N)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C15H19ClN6O2/c1-10(9-24-2)19-14-18-8-7-13(21-14)22(17)15(23)20-12-6-4-3-5-11(12)16/h3-8,10H,9,17H2,1-2H3,(H,20,23)(H,18,19,21)/t10-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411072
PNG
(CHEMBL378776)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H21F4N5O2/c1-14(13-33-2)28-20-27-12-11-19(30-20)31(18-9-5-16(23)6-10-18)21(32)29-17-7-3-15(4-8-17)22(24,25)26/h3-12,14H,13H2,1-2H3,(H,29,32)(H,27,28,30)/t14-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411070
PNG
(CHEMBL208736)
Show SMILES CN1CCN(CC1)c1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C22H22ClFN6O/c1-28-12-14-29(15-13-28)21-25-11-10-20(27-21)30(17-8-6-16(24)7-9-17)22(31)26-19-5-3-2-4-18(19)23/h2-11H,12-15H2,1H3,(H,26,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411068
PNG
(CHEMBL211944)
Show SMILES C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C25H21ClFN5O/c1-17(18-7-3-2-4-8-18)29-24-28-16-15-23(31-24)32(20-13-11-19(27)12-14-20)25(33)30-22-10-6-5-9-21(22)26/h2-17H,1H3,(H,30,33)(H,28,29,31)/t17-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411060
PNG
(CHEMBL427403)
Show SMILES C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1C)c1ccc(cc1)N(C)C)c1ccccc1
Show InChI InChI=1S/C28H30N6O/c1-20-10-8-9-13-25(20)31-28(35)34(24-16-14-23(15-17-24)33(3)4)26-18-19-29-27(32-26)30-21(2)22-11-6-5-7-12-22/h5-19,21H,1-4H3,(H,31,35)(H,29,30,32)/t21-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411058
PNG
(CHEMBL438058)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C23H27ClN6O2/c1-16(15-32-4)26-22-25-14-13-21(28-22)30(18-11-9-17(10-12-18)29(2)3)23(31)27-20-8-6-5-7-19(20)24/h5-14,16H,15H2,1-4H3,(H,27,31)(H,25,26,28)/t16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411055
PNG
(CHEMBL208737)
Show SMILES Fc1ccc(cc1)N(C(=O)Nc1ccccc1Cl)c1ccnc(n1)N1CCOCC1
Show InChI InChI=1S/C21H19ClFN5O2/c22-17-3-1-2-4-18(17)25-21(29)28(16-7-5-15(23)6-8-16)19-9-10-24-20(26-19)27-11-13-30-14-12-27/h1-10H,11-14H2,(H,25,29)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411059
PNG
(CHEMBL210589)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(C)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C17H23N5O2/c1-12-7-5-6-8-14(12)20-17(23)22(3)15-9-10-18-16(21-15)19-13(2)11-24-4/h5-10,13H,11H2,1-4H3,(H,20,23)(H,18,19,21)/t13-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411052
PNG
(CHEMBL208932)
Show SMILES C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1cccc(F)c1)c1ccccc1
Show InChI InChI=1S/C25H21ClFN5O/c1-17(18-8-3-2-4-9-18)29-24-28-15-14-23(31-24)32(20-11-7-10-19(27)16-20)25(33)30-22-13-6-5-12-21(22)26/h2-17H,1H3,(H,30,33)(H,28,29,31)/t17-/m0/s1
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n/an/a 6.16E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 16: 3510-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.095
BindingDB Entry DOI: 10.7270/Q26Q1ZFH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%