Found 50 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222105
(CHEMBL92814)Show SMILES CN(C)CCN1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C27H28Cl2F2N6OS/c1-34(2)8-9-35-10-12-36(13-11-35)23-15-22-21(33-26(23)39-24-7-6-17(30)14-20(24)31)16-32-27(38)37(22)25-18(28)4-3-5-19(25)29/h3-7,14-15H,8-13,16H2,1-2H3,(H,32,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222094
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222105
(CHEMBL92814)Show SMILES CN(C)CCN1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C27H28Cl2F2N6OS/c1-34(2)8-9-35-10-12-36(13-11-35)23-15-22-21(33-26(23)39-24-7-6-17(30)14-20(24)31)16-32-27(38)37(22)25-18(28)4-3-5-19(25)29/h3-7,14-15H,8-13,16H2,1-2H3,(H,32,38) | PDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222098
(CHEMBL93161)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCN(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C29H30Cl2F2N6OS/c30-20-4-3-5-21(31)27(20)39-24-17-25(38-14-12-37(13-15-38)11-10-36-8-1-2-9-36)28(35-23(24)18-34-29(39)40)41-26-7-6-19(32)16-22(26)33/h3-7,16-17H,1-2,8-15,18H2,(H,34,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222096
(CHEMBL92648)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3CC2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C28H25Cl2F2N5OS/c29-19-2-1-3-20(30)26(19)37-23-10-24(36-14-17-9-18(36)13-35(17)12-15-4-5-15)27(34-22(23)11-33-28(37)38)39-25-7-6-16(31)8-21(25)32/h1-3,6-8,10,15,17-18H,4-5,9,11-14H2,(H,33,38) | PDB
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PC cid
PC sid
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Similars
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222108
(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) | PDB
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222094
(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) | PDB
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222107
(CHEMBL93650)Show SMILES CC(C)N1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C27H25Cl2F2N5OS/c1-14(2)34-12-17-9-16(34)13-35(17)23-10-22-21(33-26(23)38-24-7-6-15(30)8-20(24)31)11-32-27(37)36(22)25-18(28)4-3-5-19(25)29/h3-8,10,14,16-17H,9,11-13H2,1-2H3,(H,32,37) | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222109
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222098
(CHEMBL93161)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCN(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C29H30Cl2F2N6OS/c30-20-4-3-5-21(31)27(20)39-24-17-25(38-14-12-37(13-15-38)11-10-36-8-1-2-9-36)28(35-23(24)18-34-29(39)40)41-26-7-6-19(32)16-22(26)33/h3-7,16-17H,1-2,8-15,18H2,(H,34,40) | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222107
(CHEMBL93650)Show SMILES CC(C)N1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C27H25Cl2F2N5OS/c1-14(2)34-12-17-9-16(34)13-35(17)23-10-22-21(33-26(23)38-24-7-6-15(30)8-20(24)31)11-32-27(37)36(22)25-18(28)4-3-5-19(25)29/h3-8,10,14,16-17H,9,11-13H2,1-2H3,(H,32,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222101
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222097
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222084
(CHEMBL327632)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C27H23Cl2F2N5OS/c28-18-2-1-3-19(29)25(18)36-22-10-23(35-13-16-9-17(35)12-34(16)15-5-6-15)26(33-21(22)11-32-27(36)37)38-24-7-4-14(30)8-20(24)31/h1-4,7-8,10,15-17H,5-6,9,11-13H2,(H,32,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222096
(CHEMBL92648)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3CC2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C28H25Cl2F2N5OS/c29-19-2-1-3-20(30)26(19)37-23-10-24(36-14-17-9-18(36)13-35(17)12-15-4-5-15)27(34-22(23)11-33-28(37)38)39-25-7-6-16(31)8-21(25)32/h1-3,6-8,10,15,17-18H,4-5,9,11-14H2,(H,33,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222110
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222100
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222109
(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) | PDB
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Similars
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222093
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222095
(CHEMBL91864)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCC(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C30H31Cl2F2N5OS/c31-21-4-3-5-22(32)28(21)39-25-17-26(38-14-9-19(10-15-38)8-13-37-11-1-2-12-37)29(36-24(25)18-35-30(39)40)41-27-7-6-20(33)16-23(27)34/h3-7,16-17,19H,1-2,8-15,18H2,(H,35,40) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222099
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222099
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222095
(CHEMBL91864)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCC(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C30H31Cl2F2N5OS/c31-21-4-3-5-22(32)28(21)39-25-17-26(38-14-9-19(10-15-38)8-13-37-11-1-2-12-37)29(36-24(25)18-35-30(39)40)41-27-7-6-20(33)16-23(27)34/h3-7,16-17,19H,1-2,8-15,18H2,(H,35,40) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222084
(CHEMBL327632)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C27H23Cl2F2N5OS/c28-18-2-1-3-19(29)25(18)36-22-10-23(35-13-16-9-17(35)12-34(16)15-5-6-15)26(33-21(22)11-32-27(36)37)38-24-7-4-14(30)8-20(24)31/h1-4,7-8,10,15-17H,5-6,9,11-13H2,(H,32,37) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222110
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222098
(CHEMBL93161)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCN(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C29H30Cl2F2N6OS/c30-20-4-3-5-21(31)27(20)39-24-17-25(38-14-12-37(13-15-38)11-10-36-8-1-2-9-36)28(35-23(24)18-34-29(39)40)41-26-7-6-19(32)16-22(26)33/h3-7,16-17H,1-2,8-15,18H2,(H,34,40) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222108
(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) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222103
(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) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222103
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222094
(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) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222105
(CHEMBL92814)Show SMILES CN(C)CCN1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C27H28Cl2F2N6OS/c1-34(2)8-9-35-10-12-36(13-11-35)23-15-22-21(33-26(23)39-24-7-6-17(30)14-20(24)31)16-32-27(38)37(22)25-18(28)4-3-5-19(25)29/h3-7,14-15H,8-13,16H2,1-2H3,(H,32,38) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222104
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222110
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222109
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222101
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222102
(CHEMBL93910)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H27Cl2F2N5O3S/c1-28(2,3)40-27(39)36-11-9-35(10-12-36)22-14-21-20(34-25(22)41-23-8-7-16(31)13-19(23)32)15-33-26(38)37(21)24-17(29)5-4-6-18(24)30/h4-8,13-14H,9-12,15H2,1-3H3,(H,33,38) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222097
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222108
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50222106
(CHEMBL93639)Show SMILES CC(C)(C)OC(=O)N1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C29H27Cl2F2N5O3S/c1-29(2,3)41-28(40)37-14-16-10-17(37)13-36(16)23-11-22-21(35-26(23)42-24-8-7-15(32)9-20(24)33)12-34-27(39)38(22)25-18(30)5-4-6-19(25)31/h4-9,11,16-17H,10,12-14H2,1-3H3,(H,34,39) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222096
(CHEMBL92648)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3CC2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C28H25Cl2F2N5OS/c29-19-2-1-3-20(30)26(19)37-23-10-24(36-14-17-9-18(36)13-35(17)12-15-4-5-15)27(34-22(23)11-33-28(37)38)39-25-7-6-16(31)8-21(25)32/h1-3,6-8,10,15,17-18H,4-5,9,11-14H2,(H,33,38) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222103
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222107
(CHEMBL93650)Show SMILES CC(C)N1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl Show InChI InChI=1S/C27H25Cl2F2N5OS/c1-14(2)34-12-17-9-16(34)13-35(17)23-10-22-21(33-26(23)38-24-7-6-15(30)8-20(24)31)11-32-27(37)36(22)25-18(28)4-3-5-19(25)29/h3-8,10,14,16-17H,9,11-13H2,1-2H3,(H,32,37) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222097
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222099
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222084
(CHEMBL327632)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C27H23Cl2F2N5OS/c28-18-2-1-3-19(29)25(18)36-22-10-23(35-13-16-9-17(35)12-34(16)15-5-6-15)26(33-21(22)11-32-27(36)37)38-24-7-4-14(30)8-20(24)31/h1-4,7-8,10,15-17H,5-6,9,11-13H2,(H,32,37) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222101
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222093
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222100
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50122372
(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) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50222095
(CHEMBL91864)Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCC(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C30H31Cl2F2N5OS/c31-21-4-3-5-22(32)28(21)39-25-17-26(38-14-9-19(10-15-38)8-13-37-11-1-2-12-37)29(36-24(25)18-35-30(39)40)41-27-7-6-20(33)16-23(27)34/h3-7,16-17,19H,1-2,8-15,18H2,(H,35,40) | PDB
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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)
BindingDB Entry DOI: 10.7270/Q2BZ688J |
More data for this
Ligand-Target Pair | |
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