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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 508.5
BDBM50219253
Wt: 558.6
BDBM50219254
Wt: 438.2
BDBM50122372
Wt: 540.5
BDBM50219252
Wt: 533.4
BDBM50222093
Wt: 534.4
BDBM50222094
Wt: 551.4
BDBM50222097
Wt: 564.4
BDBM50222099
Wt: 521.4
BDBM50222100
Wt: 537.4
BDBM50222103
Wt: 517.1
BDBM50222104
Wt: 523.3
BDBM50222101
Wt: 562.4
BDBM50222108
Wt: 522.3
BDBM50222109
Wt: 536.4
BDBM50222110
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 38 hits in this display   
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
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222108
PNG
(CHEMBL93028)
Show SMILES CCN1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H23Cl2F2N5OS/c1-2-33-12-16-9-15(33)13-34(16)22-10-21-20(32-25(22)37-23-7-6-14(29)8-19(23)30)11-31-26(36)35(21)24-17(27)4-3-5-18(24)28/h3-8,10,15-16H,2,9,11-13H2,1H3,(H,31,36)
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222094
PNG
(CHEMBL96305)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H19Cl2F2N5OS/c25-15-2-1-3-16(26)22(15)33-19-8-20(32-11-13-7-14(32)9-29-13)23(31-18(19)10-30-24(33)34)35-21-5-4-12(27)6-17(21)28/h1-6,8,13-14,29H,7,9-11H2,(H,30,34)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222101
PNG
(CHEMBL329635)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCOCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C23H18Cl2F2N4O2S/c24-14-2-1-3-15(25)21(14)31-18-11-19(30-6-8-33-9-7-30)22(29-17(18)12-28-23(31)32)34-20-5-4-13(26)10-16(20)27/h1-5,10-11H,6-9,12H2,(H,28,32)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222109
PNG
(CHEMBL93059)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C23H19Cl2F2N5OS/c24-14-2-1-3-15(25)21(14)32-18-11-19(31-8-6-28-7-9-31)22(30-17(18)12-29-23(32)33)34-20-5-4-13(26)10-16(20)27/h1-5,10-11,28H,6-9,12H2,(H,29,33)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222097
PNG
(CHEMBL92851)
Show SMILES CC1CN(CC(C)O1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H22Cl2F2N4O2S/c1-13-11-32(12-14(2)35-13)21-9-20-19(31-24(21)36-22-7-6-15(28)8-18(22)29)10-30-25(34)33(20)23-16(26)4-3-5-17(23)27/h3-9,13-14H,10-12H2,1-2H3,(H,30,34)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222110
PNG
(CHEMBL96629)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2NC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H21Cl2F2N5OS/c25-15-2-1-3-16(26)22(15)33-20-11-18(31-14-6-8-29-9-7-14)23(32-19(20)12-30-24(33)34)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29,31H,6-9,12H2,(H,30,34)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222100
PNG
(CHEMBL329005)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCCCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H20Cl2F2N4OS/c25-15-5-4-6-16(26)22(15)32-19-12-20(31-9-2-1-3-10-31)23(30-18(19)13-29-24(32)33)34-21-8-7-14(27)11-17(21)28/h4-8,11-12H,1-3,9-10,13H2,(H,29,33)
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50219254
PNG
(CHEMBL347592)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H31FN6O4/c1-30(28(38)37-13-15-39-16-14-37)18-40-27(41-19-30)26-35-24(21-7-9-22(31)10-8-21)25(36-26)23-11-12-32-29(34-23)33-17-20-5-3-2-4-6-20/h2-12,27H,13-19H2,1H3,(H,35,36)(H,32,33,34)/t27-,30-
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n/an/a 5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of murine Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 11: 693-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00034-8
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222109
PNG
(CHEMBL93059)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C23H19Cl2F2N5OS/c24-14-2-1-3-15(25)21(14)32-18-11-19(31-8-6-28-7-9-31)22(30-17(18)12-29-23(32)33)34-20-5-4-13(26)10-16(20)27/h1-5,10-11,28H,6-9,12H2,(H,29,33)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222093
PNG
(CHEMBL178031)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CCC2C3)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C25H20Cl2F2N4OS/c26-16-2-1-3-17(27)23(16)33-20-10-21(32-12-13-4-6-15(32)8-13)24(31-19(20)11-30-25(33)34)35-22-7-5-14(28)9-18(22)29/h1-3,5,7,9-10,13,15H,4,6,8,11-12H2,(H,30,34)
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n/an/a 5.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222099
PNG
(CHEMBL93140)
Show SMILES CC(C)N1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2F2N5OS/c1-15(2)33-8-10-34(11-9-33)22-13-21-20(32-25(22)37-23-7-6-16(29)12-19(23)30)14-31-26(36)35(21)24-17(27)4-3-5-18(24)28/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,31,36)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222099
PNG
(CHEMBL93140)
Show SMILES CC(C)N1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2F2N5OS/c1-15(2)33-8-10-34(11-9-33)22-13-21-20(32-25(22)37-23-7-6-16(29)12-19(23)30)14-31-26(36)35(21)24-17(27)4-3-5-18(24)28/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,31,36)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50219252
PNG
(CHEMBL159932)
Show SMILES COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@@](C)(CO1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H33FN6O5/c1-27(25(35)34-11-14-37-15-12-34)16-38-24(39-17-27)23-32-21(18-4-6-19(28)7-5-18)22(33-23)20-8-10-30-26(31-20)29-9-3-13-36-2/h4-8,10,24H,3,9,11-17H2,1-2H3,(H,32,33)(H,29,30,31)/t24-,27-
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n/an/a 7n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of murine Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 11: 693-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00034-8
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222110
PNG
(CHEMBL96629)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2NC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H21Cl2F2N5OS/c25-15-2-1-3-16(26)22(15)33-20-11-18(31-14-6-8-29-9-7-14)23(32-19(20)12-30-24(33)34)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29,31H,6-9,12H2,(H,30,34)
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222108
PNG
(CHEMBL93028)
Show SMILES CCN1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H23Cl2F2N5OS/c1-2-33-12-16-9-15(33)13-34(16)22-10-21-20(32-25(22)37-23-7-6-14(29)8-19(23)30)11-31-26(36)35(21)24-17(27)4-3-5-18(24)28/h3-8,10,15-16H,2,9,11-13H2,1H3,(H,31,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50219253
PNG
(CHEMBL161197)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NC2CC2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H29FN6O4/c1-26(24(34)33-10-12-35-13-11-33)14-36-23(37-15-26)22-31-20(16-2-4-17(27)5-3-16)21(32-22)19-8-9-28-25(30-19)29-18-6-7-18/h2-5,8-9,18,23H,6-7,10-15H2,1H3,(H,31,32)(H,28,29,30)/t23-,26-
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n/an/a 9n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of murine Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 11: 693-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00034-8
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222103
PNG
(CHEMBL329792)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H20Cl2F2N4O2S/c25-15-2-1-3-16(26)22(15)32-19-11-20(34-14-6-8-29-9-7-14)23(31-18(19)12-30-24(32)33)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29H,6-9,12H2,(H,30,33)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222094
PNG
(CHEMBL96305)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H19Cl2F2N5OS/c25-15-2-1-3-16(26)22(15)33-19-8-20(32-11-13-7-14(32)9-29-13)23(31-18(19)10-30-24(33)34)35-21-5-4-12(27)6-17(21)28/h1-6,8,13-14,29H,7,9-11H2,(H,30,34)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced release of TNF-alpha from human whole blood


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222103
PNG
(CHEMBL329792)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H20Cl2F2N4O2S/c25-15-2-1-3-16(26)22(15)32-19-11-20(34-14-6-8-29-9-7-14)23(31-18(19)12-30-24(32)33)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29H,6-9,12H2,(H,30,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222104
PNG
(CHEMBL93462)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2Br)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C19H10BrCl2F2N3OS/c20-10-7-15-14(26-18(10)29-16-5-4-9(23)6-13(16)24)8-25-19(28)27(15)17-11(21)2-1-3-12(17)22/h1-7H,8H2,(H,25,28)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222110
PNG
(CHEMBL96629)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2NC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H21Cl2F2N5OS/c25-15-2-1-3-16(26)22(15)33-20-11-18(31-14-6-8-29-9-7-14)23(32-19(20)12-30-24(33)34)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29,31H,6-9,12H2,(H,30,34)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced release of TNF-alpha from human whole blood


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222109
PNG
(CHEMBL93059)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C23H19Cl2F2N5OS/c24-14-2-1-3-15(25)21(14)32-18-11-19(31-8-6-28-7-9-31)22(30-17(18)12-29-23(32)33)34-20-5-4-13(26)10-16(20)27/h1-5,10-11,28H,6-9,12H2,(H,29,33)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced release of TNF-alpha from human whole blood


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222101
PNG
(CHEMBL329635)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCOCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C23H18Cl2F2N4O2S/c24-14-2-1-3-15(25)21(14)31-18-11-19(30-6-8-33-9-7-30)22(29-17(18)12-28-23(31)32)34-20-5-4-13(26)10-16(20)27/h1-5,10-11H,6-9,12H2,(H,28,32)
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222097
PNG
(CHEMBL92851)
Show SMILES CC1CN(CC(C)O1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H22Cl2F2N4O2S/c1-13-11-32(12-14(2)35-13)21-9-20-19(31-24(21)36-22-7-6-15(28)8-18(22)29)10-30-25(34)33(20)23-16(26)4-3-5-17(23)27/h3-9,13-14H,10-12H2,1-2H3,(H,30,34)
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50122372
PNG
(1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-phenylsulf...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C19H11Cl2F2N3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(22)8-13(16)23/h1-8H,9H2,(H,24,27)
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 13: 3979-82 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.059
BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50122372
PNG
(1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-phenylsulf...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C19H11Cl2F2N3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(22)8-13(16)23/h1-8H,9H2,(H,24,27)
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3979-82 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.059
BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50122372
PNG
(1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-phenylsulf...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C19H11Cl2F2N3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(22)8-13(16)23/h1-8H,9H2,(H,24,27)
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n/an/a<30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3979-82 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.059
BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222108
PNG
(CHEMBL93028)
Show SMILES CCN1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H23Cl2F2N5OS/c1-2-33-12-16-9-15(33)13-34(16)22-10-21-20(32-25(22)37-23-7-6-14(29)8-19(23)30)11-31-26(36)35(21)24-17(27)4-3-5-18(24)28/h3-8,10,15-16H,2,9,11-13H2,1H3,(H,31,36)
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced release of TNF-alpha from human whole blood


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222103
PNG
(CHEMBL329792)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H20Cl2F2N4O2S/c25-15-2-1-3-16(26)22(15)32-19-11-20(34-14-6-8-29-9-7-14)23(31-18(19)12-30-24(32)33)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29H,6-9,12H2,(H,30,33)
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced release of TNF-alpha from human whole blood


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222097
PNG
(CHEMBL92851)
Show SMILES CC1CN(CC(C)O1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H22Cl2F2N4O2S/c1-13-11-32(12-14(2)35-13)21-9-20-19(31-24(21)36-22-7-6-15(28)8-18(22)29)10-30-25(34)33(20)23-16(26)4-3-5-17(23)27/h3-9,13-14H,10-12H2,1-2H3,(H,30,34)
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n/an/a 72n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced release of TNF-alpha from human whole blood


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222099
PNG
(CHEMBL93140)
Show SMILES CC(C)N1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2F2N5OS/c1-15(2)33-8-10-34(11-9-33)22-13-21-20(32-25(22)37-23-7-6-16(29)12-19(23)30)14-31-26(36)35(21)24-17(27)4-3-5-18(24)28/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,31,36)
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced release of TNF-alpha from human whole blood


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens)
BDBM50122372
PNG
(1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-phenylsulf...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C19H11Cl2F2N3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(22)8-13(16)23/h1-8H,9H2,(H,24,27)
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 13: 3979-82 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.059
BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens)
BDBM50122372
PNG
(1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-phenylsulf...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C19H11Cl2F2N3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(22)8-13(16)23/h1-8H,9H2,(H,24,27)
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 13: 3979-82 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.059
BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222101
PNG
(CHEMBL329635)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCOCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C23H18Cl2F2N4O2S/c24-14-2-1-3-15(25)21(14)31-18-11-19(30-6-8-33-9-7-30)22(29-17(18)12-28-23(31)32)34-20-5-4-13(26)10-16(20)27/h1-5,10-11H,6-9,12H2,(H,28,32)
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced release of TNF-alpha from human whole blood


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222093
PNG
(CHEMBL178031)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CCC2C3)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C25H20Cl2F2N4OS/c26-16-2-1-3-17(27)23(16)33-20-10-21(32-12-13-4-6-15(32)8-13)24(31-19(20)11-30-25(33)34)35-22-7-5-14(28)9-18(22)29/h1-3,5,7,9-10,13,15H,4,6,8,11-12H2,(H,30,34)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50222100
PNG
(CHEMBL329005)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCCCC2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H20Cl2F2N4OS/c25-15-5-4-6-16(26)22(15)32-19-12-20(31-9-2-1-3-10-31)23(30-18(19)13-29-24(32)33)34-21-8-7-14(27)11-17(21)28/h4-8,11-12H,1-3,9-10,13H2,(H,29,33)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50222094
PNG
(CHEMBL96305)
Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C24H19Cl2F2N5OS/c25-15-2-1-3-16(26)22(15)33-19-8-20(32-11-13-7-14(32)9-29-13)23(31-18(19)10-30-24(33)34)35-21-5-4-12(27)6-17(21)28/h1-6,8,13-14,29H,7,9-11H2,(H,30,34)
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50122372
PNG
(1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-phenylsulf...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C19H11Cl2F2N3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(22)8-13(16)23/h1-8H,9H2,(H,24,27)
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n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 13: 273-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00876-4
More data for this
Ligand-Target Pair