Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50033205 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 14
(Homo sapiens (Human)) | BDBM50341350
(2-(1-Acetyl-piperidin-4-ylamino)-6-(2,4-difluoroph...)Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 Show InChI InChI=1S/C21H21F2N5O3/c1-12(29)28-7-5-15(6-8-28)25-21-24-11-13-9-18(20(30)27(2)19(13)26-21)31-17-4-3-14(22)10-16(17)23/h3-4,9-11,15H,5-8H2,1-2H3,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341370
(6-(2,4-Difluorophenoxy)-8-(1-methanesulfonyl-piper...)Show SMILES CS(=O)(=O)N1CCC(CC1)n1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C24H27F2N5O5S/c1-37(33,34)30-8-4-18(5-9-30)31-22-15(14-27-24(29-22)28-17-6-10-35-11-7-17)12-21(23(31)32)36-20-3-2-16(25)13-19(20)26/h2-3,12-14,17-18H,4-11H2,1H3,(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341361
(6-(2,4-Difluorophenoxy)-8-ethyl-2-(tetrahydro-2H-p...)Show SMILES CCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C20H20F2N4O3/c1-2-26-18-12(11-23-20(25-18)24-14-5-7-28-8-6-14)9-17(19(26)27)29-16-4-3-13(21)10-15(16)22/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341366
(6-(2,4-Difluorophenoxy)-8-(1,1-dioxo-hexahydro-thi...)Show SMILES Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3n(C3CCS(=O)(=O)CC3)c2=O)c(F)c1 Show InChI InChI=1S/C23H24F2N4O5S/c24-15-1-2-19(18(25)12-15)34-20-11-14-13-26-23(27-16-3-7-33-8-4-16)28-21(14)29(22(20)30)17-5-9-35(31,32)10-6-17/h1-2,11-13,16-17H,3-10H2,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341363
(6-(2,4-Difluorophenoxy)-8-(3-hydroxy-propyl)-2-(te...)Show SMILES OCCCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C21H22F2N4O4/c22-14-2-3-17(16(23)11-14)31-18-10-13-12-24-21(25-15-4-8-30-9-5-15)26-19(13)27(20(18)29)6-1-7-28/h2-3,10-12,15,28H,1,4-9H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341356
(6-(2,4-Difluorophenoxy)-8-methyl-2-((S)-1-methyl-2...)Show SMILES C[C@@H](Cn1ncnn1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r| Show InChI InChI=1S/C18H16F2N8O2/c1-10(8-28-23-9-22-26-28)24-18-21-7-11-5-15(17(29)27(2)16(11)25-18)30-14-4-3-12(19)6-13(14)20/h3-7,9-10H,8H2,1-2H3,(H,21,24,25)/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341369
(CHEMBL1766506 | [6-(2,4-Difluorophenoxy)-7-oxo-2-(...)Show SMILES Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3n(CC#N)c2=O)c(F)c1 Show InChI InChI=1S/C20H17F2N5O3/c21-13-1-2-16(15(22)10-13)30-17-9-12-11-24-20(25-14-3-7-29-8-4-14)26-18(12)27(6-5-23)19(17)28/h1-2,9-11,14H,3-4,6-8H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341352
(CHEMBL1766580 | trans-6-(2,4-Difluorophenoxy)-2-(t...)Show SMILES Cn1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2cc(Oc2ccc(F)cc2F)c1=O |r,wU:9.9,wD:6.5,(28.23,-9.5,;28.24,-7.96,;26.92,-7.19,;25.59,-7.95,;24.26,-7.19,;22.93,-7.96,;22.93,-9.5,;21.59,-10.26,;21.58,-11.79,;22.9,-12.57,;22.89,-14.11,;24.24,-11.81,;24.25,-10.27,;24.26,-5.65,;25.59,-4.87,;26.92,-5.65,;28.25,-4.88,;29.58,-5.66,;30.92,-4.91,;32.25,-5.69,;32.22,-7.23,;33.55,-8.01,;34.89,-7.26,;36.22,-8.04,;34.9,-5.71,;33.58,-4.93,;33.59,-3.39,;29.58,-7.2,;30.91,-7.98,)| Show InChI InChI=1S/C20H20F2N4O3/c1-26-18-11(10-23-20(25-18)24-13-3-5-14(27)6-4-13)8-17(19(26)28)29-16-7-2-12(21)9-15(16)22/h2,7-10,13-14,27H,3-6H2,1H3,(H,23,24,25)/t13-,14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341372
(6-(2,4-Difluorophenoxy)-2-isopropylamino-8-methyl-...)Show InChI InChI=1S/C17H16F2N4O2/c1-9(2)21-17-20-8-10-6-14(16(24)23(3)15(10)22-17)25-13-5-4-11(18)7-12(13)19/h4-9H,1-3H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341346
((R)-6-(2,4-difluorophenoxy)-8-methyl-2-(1-(methyls...)Show SMILES C[C@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r| Show InChI InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341365
(6-(2,4-Difluorophenoxy)-8-(3-methanesulfonyl-propy...)Show SMILES CS(=O)(=O)CCCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C22H24F2N4O5S/c1-34(30,31)10-2-7-28-20-14(13-25-22(27-20)26-16-5-8-32-9-6-16)11-19(21(28)29)33-18-4-3-15(23)12-17(18)24/h3-4,11-13,16H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341368
(6-(2,4-Difluorophenoxy)-8-((S)-2,3-dihydroxy-propy...)Show SMILES OC[C@@H](O)Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O |r| Show InChI InChI=1S/C21H22F2N4O5/c22-13-1-2-17(16(23)8-13)32-18-7-12-9-24-21(25-14-3-5-31-6-4-14)26-19(12)27(20(18)30)10-15(29)11-28/h1-2,7-9,14-15,28-29H,3-6,10-11H2,(H,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341362
(6-(2,4-Difluorophenoxy)-8-cyclopropyl-2-(tetrahydr...)Show SMILES Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3n(C3CC3)c2=O)c(F)c1 Show InChI InChI=1S/C21H20F2N4O3/c22-13-1-4-17(16(23)10-13)30-18-9-12-11-24-21(25-14-5-7-29-8-6-14)26-19(12)27(20(18)28)15-2-3-15/h1,4,9-11,14-15H,2-3,5-8H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341342
(6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-...)Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341358
(6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-...)Show SMILES C[C@H](Cn1ncnn1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r| Show InChI InChI=1S/C18H16F2N8O2/c1-10(8-28-23-9-22-26-28)24-18-21-7-11-5-15(17(29)27(2)16(11)25-18)30-14-4-3-12(19)6-13(14)20/h3-7,9-10H,8H2,1-2H3,(H,21,24,25)/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341367
(6-(2,4-Difluorophenoxy)-8-(2-hydroxy-2-methyl-prop...)Show SMILES CC(C)(O)Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C22H24F2N4O4/c1-22(2,30)12-28-19-13(11-25-21(27-19)26-15-5-7-31-8-6-15)9-18(20(28)29)32-17-4-3-14(23)10-16(17)24/h3-4,9-11,15,30H,5-8,12H2,1-2H3,(H,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341349
(6-(4-Fluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyra...)Show InChI InChI=1S/C19H19FN4O3/c1-24-17-12(11-21-19(23-17)22-14-6-8-26-9-7-14)10-16(18(24)25)27-15-4-2-13(20)3-5-15/h2-5,10-11,14H,6-9H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341353
(6-(2-Fluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyra...)Show InChI InChI=1S/C19H19FN4O3/c1-24-17-12(11-21-19(23-17)22-13-6-8-26-9-7-13)10-16(18(24)25)27-15-5-3-2-4-14(15)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341354
(2-[(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)amino]...)Show SMILES Cn1c2nc(NC3CCS(=O)(=O)CC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H18F2N4O4S/c1-25-17-11(8-16(18(25)26)29-15-3-2-12(20)9-14(15)21)10-22-19(24-17)23-13-4-6-30(27,28)7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341360
(6-(2,4-Difluorophenoxy)-8H-2-(tetrahydro-2H-pyran-...)Show SMILES Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3[nH]c2=O)c(F)c1 Show InChI InChI=1S/C18H16F2N4O3/c19-11-1-2-14(13(20)8-11)27-15-7-10-9-21-18(24-16(10)23-17(15)25)22-12-3-5-26-6-4-12/h1-2,7-9,12H,3-6H2,(H2,21,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341364
(6-(2,4-Difluorophenoxy)-8-(2-methanesulfonyl-ethyl...)Show SMILES CS(=O)(=O)CCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C21H22F2N4O5S/c1-33(29,30)9-6-27-19-13(12-24-21(26-19)25-15-4-7-31-8-5-15)10-18(20(27)28)32-17-3-2-14(22)11-16(17)23/h2-3,10-12,15H,4-9H2,1H3,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341345
(6-(2-Chlorophenyl)-8-methyl-2-(tetrahydro-2H-pyran...)Show InChI InChI=1S/C19H19ClN4O2/c1-24-17-12(10-15(18(24)25)14-4-2-3-5-16(14)20)11-21-19(23-17)22-13-6-8-26-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341375
(6-(2,4-Difluorophenoxy)-2-(2-hydroxy-1,1-dimethyl-...)Show SMILES Cn1c2nc(NC(C)(C)CO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C18H18F2N4O3/c1-18(2,9-25)23-17-21-8-10-6-14(16(26)24(3)15(10)22-17)27-13-5-4-11(19)7-12(13)20/h4-8,25H,9H2,1-3H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341373
(6-(2,4-Difluorophenoxy)-8-methyl-2-[(S)-(tetrahydr...)Show SMILES Cn1c2nc(N[C@H]3CCOC3)ncc2cc(Oc2ccc(F)cc2F)c1=O |r| Show InChI InChI=1S/C18H16F2N4O3/c1-24-16-10(8-21-18(23-16)22-12-4-5-26-9-12)6-15(17(24)25)27-14-3-2-11(19)7-13(14)20/h2-3,6-8,12H,4-5,9H2,1H3,(H,21,22,23)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341359
(6-(2,4-Difluorobenzyl)-8-methyl-2-(tetrahydro-2H-p...)Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Cc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C20H20F2N4O2/c1-26-18-14(11-23-20(25-18)24-16-4-6-28-7-5-16)9-13(19(26)27)8-12-2-3-15(21)10-17(12)22/h2-3,9-11,16H,4-8H2,1H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341357
(6-(2-Fluorobenzyl)-8-methyl-2-(tetrahydro-2H-pyran...)Show InChI InChI=1S/C20H21FN4O2/c1-25-18-15(12-22-20(24-18)23-16-6-8-27-9-7-16)11-14(19(25)26)10-13-4-2-3-5-17(13)21/h2-5,11-12,16H,6-10H2,1H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341348
(6-(2,4-Difluorophenoxy)-2-((S)-2-methanesulfonyl-1...)Show SMILES C[C@@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r| Show InChI InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341374
(6-(2,4-Difluorophenoxy)-2-(2-hydroxy-2-methyl-prop...)Show SMILES Cn1c2nc(NCC(C)(C)O)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C18H18F2N4O3/c1-18(2,26)9-22-17-21-8-10-6-14(16(25)24(3)15(10)23-17)27-13-5-4-11(19)7-12(13)20/h4-8,26H,9H2,1-3H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341347
(6-(Phenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylam...)Show InChI InChI=1S/C19H20N4O3/c1-23-17-13(11-16(18(23)24)26-15-5-3-2-4-6-15)12-20-19(22-17)21-14-7-9-25-10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341355
(6-(2-Fluorophenylthio)-8-methyl-2-(tetrahydro-2H-p...)Show InChI InChI=1S/C19H19FN4O2S/c1-24-17-12(11-21-19(23-17)22-13-6-8-26-9-7-13)10-16(18(24)25)27-15-5-3-2-4-14(15)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341343
(6-(2,4-Difluorophenoxy)-2-(2-hydroxy-1-hydroxymeth...)Show InChI InChI=1S/C17H16F2N4O4/c1-23-15-9(6-20-17(22-15)21-11(7-24)8-25)4-14(16(23)26)27-13-3-2-10(18)5-12(13)19/h2-6,11,24-25H,7-8H2,1H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341344
(2-(2'-Methylsulfonylethylamino))-6-(2,4-difluoroph...)Show SMILES Cn1c2nc(NCCS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C17H16F2N4O4S/c1-23-15-10(9-21-17(22-15)20-5-6-28(2,25)26)7-14(16(23)24)27-13-4-3-11(18)8-12(13)19/h3-4,7-9H,5-6H2,1-2H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341371
(6-(2,4-Difluorophenoxy)-8-methyl-2-methylamino-8H-...)Show InChI InChI=1S/C15H12F2N4O2/c1-18-15-19-7-8-5-12(14(22)21(2)13(8)20-15)23-11-4-3-9(16)6-10(11)17/h3-7H,1-2H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50341351
(6-(3-Fluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyra...)Show InChI InChI=1S/C19H19FN4O3/c1-24-17-12(11-21-19(23-17)22-14-5-7-26-8-6-14)9-16(18(24)25)27-15-4-2-3-13(20)10-15/h2-4,9-11,14H,5-8H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 594 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio... |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
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| Article PubMed
| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB
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| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50341342
(6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-...)Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
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| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50341342
(6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-...)Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
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| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50341342
(6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-...)Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
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Patents
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| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50341342
(6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-...)Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24) | PDB
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| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50341342
(6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-...)Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of P38beta |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Atypical kinase COQ8A, mitochondrial
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB
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| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of ADCK3 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Casein kinase I isoform epsilon
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of CSNK1epsilon |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB
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| Article PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of DDR1 |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |
Cyclin-G-associated kinase
(Homo sapiens (Human)) | BDBM50314070
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description Inhibition of GAK |
J Med Chem 54: 2255-65 (2011)
Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X |
More data for this Ligand-Target Pair | |