Found 18 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 11/12/13/14
(Homo sapiens (Human)) | BDBM50072405
(4-{3-[4-(4-Fluoro-phenyl)-5-pyrimidin-4-yl-imidazo...)Show InChI InChI=1S/C20H22FN5O/c21-17-4-2-16(3-5-17)19-20(18-6-7-22-14-23-18)26(15-24-19)9-1-8-25-10-12-27-13-11-25/h2-7,14-15H,1,8-13H2 | PDB
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PC cid
PC sid
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| PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50072400
(4-{3-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4...)Show SMILES COc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN5O2/c1-28-21-23-8-7-18(25-21)20-19(16-3-5-17(22)6-4-16)24-15-27(20)10-2-9-26-11-13-29-14-12-26/h3-8,15H,2,9-14H2,1H3 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215131
(CHEMBL323316)Show SMILES CC(=O)Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN6O2/c1-16(30)26-22-24-8-7-19(27-22)21-20(17-3-5-18(23)6-4-17)25-15-29(21)10-2-9-28-11-13-31-14-12-28/h3-8,15H,2,9-14H2,1H3,(H,24,26,27,30) | PDB
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50072402
(4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)...)Show SMILES Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H23FN6O/c21-16-4-2-15(3-5-16)18-19(17-6-7-23-20(22)25-17)27(14-24-18)9-1-8-26-10-12-28-13-11-26/h2-7,14H,1,8-13H2,(H2,22,23,25) | PDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215138
(CHEMBL317671)Show SMILES Cc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN5O/c1-16-23-8-7-19(25-16)21-20(17-3-5-18(22)6-4-17)24-15-27(21)10-2-9-26-11-13-28-14-12-26/h3-8,15H,2,9-14H2,1H3 | PDB
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PC cid
PC sid
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50053424
(4-{3-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-imidazol-...)Show InChI InChI=1S/C21H23FN4O/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25/h2-9,16H,1,10-15H2 | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215134
(CHEMBL104582 | D3RKN_116)Show SMILES CNc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FN6O/c1-23-21-24-8-7-18(26-21)20-19(16-3-5-17(22)6-4-16)25-15-28(20)10-2-9-27-11-13-29-14-12-27/h3-8,15H,2,9-14H2,1H3,(H,23,24,26) | PDB
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215129
(CHEMBL106616 | D3RKN_123)Show SMILES CSc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN5OS/c1-29-21-23-8-7-18(25-21)20-19(16-3-5-17(22)6-4-16)24-15-27(20)10-2-9-26-11-13-28-14-12-26/h3-8,15H,2,9-14H2,1H3 | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215136
(CHEMBL318991)Show SMILES Cc1cc(ccn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN4O/c1-17-15-19(7-8-24-17)22-21(18-3-5-20(23)6-4-18)25-16-27(22)10-2-9-26-11-13-28-14-12-26/h3-8,15-16H,2,9-14H2,1H3 | PDB
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| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215133
(CHEMBL105489)Show SMILES C[S+]([O-])c1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN5O2S/c1-30(28)21-23-8-7-18(25-21)20-19(16-3-5-17(22)6-4-16)24-15-27(20)10-2-9-26-11-13-29-14-12-26/h3-8,15H,2,9-14H2,1H3 | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215130
(CHEMBL320870)Show SMILES CC(=O)Nc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN6O2/c1-16(30)27-20-13-19(24-14-25-20)22-21(17-3-5-18(23)6-4-17)26-15-29(22)8-2-7-28-9-11-31-12-10-28/h3-6,13-15H,2,7-12H2,1H3,(H,24,25,27,30) | PDB
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215132
(CHEMBL318350)Show SMILES CN(C)c1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H27FN6O/c1-27(2)22-24-9-8-19(26-22)21-20(17-4-6-18(23)7-5-17)25-16-29(21)11-3-10-28-12-14-30-15-13-28/h4-9,16H,3,10-15H2,1-2H3 | PDB
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| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215139
(CHEMBL324893)Show SMILES Oc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H22FN5O2/c21-16-4-2-15(3-5-16)18-19(17-6-7-22-20(27)24-17)26(14-23-18)9-1-8-25-10-12-28-13-11-25/h2-7,14H,1,8-13H2,(H,22,24,27) | PDB
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| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215137
(CHEMBL323320)Show SMILES Nc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H23FN6O/c21-16-4-2-15(3-5-16)19-20(17-12-18(22)24-13-23-17)27(14-25-19)7-1-6-26-8-10-28-11-9-26/h2-5,12-14H,1,6-11H2,(H2,22,23,24) | PDB
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| n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215140
(CHEMBL106669)Show SMILES Cc1cc(cc(C)n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-17-14-20(15-18(2)26-17)23-22(19-4-6-21(24)7-5-19)25-16-28(23)9-3-8-27-10-12-29-13-11-27/h4-7,14-16H,3,8-13H2,1-2H3 | PDB
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| n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215142
(CHEMBL317855 | D3RKN_122)Show SMILES Cc1cc(nc(N)n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FN6O/c1-15-13-18(26-21(23)25-15)20-19(16-3-5-17(22)6-4-16)24-14-28(20)8-2-7-27-9-11-29-12-10-27/h3-6,13-14H,2,7-12H2,1H3,(H2,23,25,26) | PDB
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| n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215135
(CHEMBL106220)Show SMILES COc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN5O2/c1-28-19-13-18(23-14-24-19)21-20(16-3-5-17(22)6-4-16)25-15-27(21)8-2-7-26-9-11-29-12-10-26/h3-6,13-15H,2,7-12H2,1H3 | PDB
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| n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50215141
(CHEMBL104212)Show SMILES CSc1nc(N)cc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FN6OS/c1-30-21-25-17(13-18(23)26-21)20-19(15-3-5-16(22)6-4-15)24-14-28(20)8-2-7-27-9-11-29-12-10-27/h3-6,13-14H,2,7-12H2,1H3,(H2,23,25,26) | PDB
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| n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of p38 MAP kinase |
Bioorg Med Chem Lett 8: 3111-6 (1998)
BindingDB Entry DOI: 10.7270/Q2FB554V |
More data for this
Ligand-Target Pair | |
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