Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50035273 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 11/12/13/14
(Homo sapiens (Human)) | BDBM15240
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1 | PDB
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| PDB
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50219316
(CHEMBL545353)Show SMILES Cl.Cl.C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1 |r| Show InChI InChI=1S/C28H27F3N6.2ClH/c1-18(19-6-3-2-4-7-19)34-27-33-15-12-24(35-27)23-17-25(20-10-13-32-14-11-20)36-37-26(23)21-8-5-9-22(16-21)28(29,30)31;;/h2-9,12,15-18,20,32H,10-11,13-14H2,1H3,(H,33,34,35);2*1H/t18-;;/m0../s1 | PDB
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PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50219323
(CHEMBL161276)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H26F3N7/c1-18(19-6-3-2-4-7-19)33-26-32-11-10-23(34-26)22-17-24(37-14-12-31-13-15-37)35-36-25(22)20-8-5-9-21(16-20)27(28,29)30/h2-11,16-18,31H,12-15H2,1H3,(H,32,33,34)/t18-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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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
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50219315
(CHEMBL161477)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N(C)CCN(C)C)c1ccccc1 Show InChI InChI=1S/C28H30F3N7/c1-19(20-9-6-5-7-10-20)33-27-32-14-13-24(34-27)23-18-25(38(4)16-15-37(2)3)35-36-26(23)21-11-8-12-22(17-21)28(29,30)31/h5-14,17-19H,15-16H2,1-4H3,(H,32,33,34)/t19-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50219322
(CHEMBL348754)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCN(C)CC1)c1ccccc1 Show InChI InChI=1S/C28H28F3N7/c1-19(20-7-4-3-5-8-20)33-27-32-12-11-24(34-27)23-18-25(38-15-13-37(2)14-16-38)35-36-26(23)21-9-6-10-22(17-21)28(29,30)31/h3-12,17-19H,13-16H2,1-2H3,(H,32,33,34)/t19-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50219317
(CHEMBL349524)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N(C)C)c1ccccc1 Show InChI InChI=1S/C25H23F3N6/c1-16(17-8-5-4-6-9-17)30-24-29-13-12-21(31-24)20-15-22(34(2)3)32-33-23(20)18-10-7-11-19(14-18)25(26,27)28/h4-16H,1-3H3,(H,29,30,31)/t16-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50110104
(CHEMBL162295 | {4-[6-Morpholin-4-yl-3-(3-trifluoro...)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C27H25F3N6O/c1-18(19-6-3-2-4-7-19)32-26-31-11-10-23(33-26)22-17-24(36-12-14-37-15-13-36)34-35-25(22)20-8-5-9-21(16-20)27(28,29)30/h2-11,16-18H,12-15H2,1H3,(H,31,32,33)/t18-/m0/s1 | PDB
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| CHEMBL
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PC sid
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| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50219324
(CHEMBL161137)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCC(C)CC1)c1ccccc1 Show InChI InChI=1S/C29H29F3N6/c1-19-12-15-38(16-13-19)26-18-24(27(37-36-26)22-9-6-10-23(17-22)29(30,31)32)25-11-14-33-28(35-25)34-20(2)21-7-4-3-5-8-21/h3-11,14,17-20H,12-13,15-16H2,1-2H3,(H,33,34,35)/t20-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50219325
(CHEMBL159698)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCCCC1)c1ccccc1 Show InChI InChI=1S/C28H27F3N6/c1-19(20-9-4-2-5-10-20)33-27-32-14-13-24(34-27)23-18-25(37-15-6-3-7-16-37)35-36-26(23)21-11-8-12-22(17-21)28(29,30)31/h2,4-5,8-14,17-19H,3,6-7,15-16H2,1H3,(H,32,33,34)/t19-/m0/s1 | PDB
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UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50110104
(CHEMBL162295 | {4-[6-Morpholin-4-yl-3-(3-trifluoro...)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C27H25F3N6O/c1-18(19-6-3-2-4-7-19)32-26-31-11-10-23(33-26)22-17-24(36-12-14-37-15-13-36)34-35-25(22)20-8-5-9-21(16-20)27(28,29)30/h2-11,16-18H,12-15H2,1H3,(H,31,32,33)/t18-/m0/s1 | PDB
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| PubMed
| n/a | n/a | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of JNK2-alpha-2 kinase |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50110104
(CHEMBL162295 | {4-[6-Morpholin-4-yl-3-(3-trifluoro...)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C27H25F3N6O/c1-18(19-6-3-2-4-7-19)32-26-31-11-10-23(33-26)22-17-24(36-12-14-37-15-13-36)34-35-25(22)20-8-5-9-21(16-20)27(28,29)30/h2-11,16-18H,12-15H2,1H3,(H,31,32,33)/t18-/m0/s1 | PDB
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| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF-alpha release in human whole blood |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50110104
(CHEMBL162295 | {4-[6-Morpholin-4-yl-3-(3-trifluoro...)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C27H25F3N6O/c1-18(19-6-3-2-4-7-19)32-26-31-11-10-23(33-26)22-17-24(36-12-14-37-15-13-36)34-35-25(22)20-8-5-9-21(16-20)27(28,29)30/h2-11,16-18H,12-15H2,1H3,(H,31,32,33)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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PC cid
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| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of JNK2-alpha-2 kinase |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50110104
(CHEMBL162295 | {4-[6-Morpholin-4-yl-3-(3-trifluoro...)Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C27H25F3N6O/c1-18(19-6-3-2-4-7-19)32-26-31-11-10-23(33-26)22-17-24(36-12-14-37-15-13-36)34-35-25(22)20-8-5-9-21(16-20)27(28,29)30/h2-11,16-18H,12-15H2,1H3,(H,31,32,33)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of JNK2-alpha-2 kinase |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50219314
(CHEMBL305749)Show SMILES C[C@H](Nc1nccc(n1)-c1nc(C2CCNCC2)n(C)c1-c1cccc(c1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)24-25(21-9-6-10-22(17-21)28(29,30)31)37(2)26(36-24)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1 | PDB
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PC sid
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Similars
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| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 12: 689-92 (2002)
BindingDB Entry DOI: 10.7270/Q2930TQS |
More data for this
Ligand-Target Pair | |
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