Found 44 hits with Last Name = 'wakefield' and Initial = 'j' 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 |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | 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
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50088527
(CHEMBL3527358)Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50088527
(CHEMBL3527358)Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.87E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50088527
(CHEMBL3527358)Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 4.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50114250
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibition of human epidermal growth factor receptor-2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | 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 | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes assessed as dibenzo fluuorescene oxidation up to 40 uM |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114245
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5OS/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114231
((4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-u...)Show SMILES CCOC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C24H29N5O4/c1-6-32-23(31)26-17-9-13-19(14-10-17)33-18-11-7-16(8-12-18)25-22(30)27-21-15-20(24(2,3)4)28-29(21)5/h7-15H,6H2,1-5H3,(H,26,31)(H2,25,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114235
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccc(O)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H24N4O2S/c1-21(2,3)18-13-19(25(4)24-18)23-20(27)22-14-5-9-16(10-6-14)28-17-11-7-15(26)8-12-17/h5-13,26H,1-4H3,(H2,22,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114247
(CHEMBL415679 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CC(C)CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C27H35N5O2/c1-18(2)15-25(33)28-21-11-7-19(8-12-21)16-20-9-13-22(14-10-20)29-26(34)30-24-17-23(27(3,4)5)31-32(24)6/h7-14,17-18H,15-16H2,1-6H3,(H,28,33)(H2,29,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114240
(CHEMBL290982 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CCC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C25H31N5O2/c1-6-23(31)26-19-11-7-17(8-12-19)15-18-9-13-20(14-10-18)27-24(32)28-22-16-21(25(2,3)4)29-30(22)5/h7-14,16H,6,15H2,1-5H3,(H,26,31)(H2,27,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114250
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114244
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(CSc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5OS/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-16-7-5-15(6-8-16)14-28-17-9-11-22-12-10-17/h5-13H,14H2,1-4H3,(H2,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114239
(CHEMBL40166 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2H...)Show SMILES CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C26H33N5O3/c1-17(2)15-24(32)27-18-7-11-20(12-8-18)34-21-13-9-19(10-14-21)28-25(33)29-23-16-22(26(3,4)5)30-31(23)6/h7-14,16-17H,15H2,1-6H3,(H,27,32)(H2,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50091923
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(2,3-d...)Show InChI InChI=1S/C15H18Cl2N4O/c1-15(2,3)11-8-12(21(4)20-11)19-14(22)18-10-7-5-6-9(16)13(10)17/h5-8H,1-4H3,(H2,18,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114242
((4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-u...)Show SMILES CC(C)OC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)33-24(32)27-18-9-13-20(14-10-18)34-19-11-7-17(8-12-19)26-23(31)28-22-15-21(25(3,4)5)29-30(22)6/h7-16H,1-6H3,(H,27,32)(H2,26,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114238
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-...)Show SMILES CCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C24H30N4O2S/c1-6-15-30-18-9-13-20(14-10-18)31-19-11-7-17(8-12-19)25-23(29)26-22-16-21(24(2,3)4)27-28(22)5/h7-14,16H,6,15H2,1-5H3,(H2,25,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114251
(CHEMBL288889 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CCC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C24H29N5O3/c1-6-22(30)25-16-7-11-18(12-8-16)32-19-13-9-17(10-14-19)26-23(31)27-21-15-20(24(2,3)4)28-29(21)5/h7-15H,6H2,1-5H3,(H,25,30)(H2,26,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114233
(1-[4-(4-Butoxy-phenylsulfanyl)-phenyl]-3-(5-tert-b...)Show SMILES CCCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C25H32N4O2S/c1-6-7-16-31-19-10-14-21(15-11-19)32-20-12-8-18(9-13-20)26-24(30)27-23-17-22(25(2,3)4)28-29(23)5/h8-15,17H,6-7,16H2,1-5H3,(H2,26,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114253
(CHEMBL416425 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C24H29N5O2/c1-16(30)25-19-10-6-17(7-11-19)14-18-8-12-20(13-9-18)26-23(31)27-22-15-21(24(2,3)4)28-29(22)5/h6-13,15H,14H2,1-5H3,(H,25,30)(H2,26,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114248
((4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-u...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C27H35N5O3/c1-26(2,3)22-17-23(32(7)31-22)30-24(33)28-20-12-8-18(9-13-20)16-19-10-14-21(15-11-19)29-25(34)35-27(4,5)6/h8-15,17H,16H2,1-7H3,(H,29,34)(H2,28,30,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114232
(1-[4-(4-Benzyloxy-phenoxy)-phenyl]-3-(5-tert-butyl...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C28H30N4O3/c1-28(2,3)25-18-26(32(4)31-25)30-27(33)29-21-10-12-23(13-11-21)35-24-16-14-22(15-17-24)34-19-20-8-6-5-7-9-20/h5-18H,19H2,1-4H3,(H2,29,30,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Homo sapiens (Human)) | BDBM50114250
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibition of Mitogen-activated protein kinase p38 beta |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114252
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(SCc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5OS/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-16-5-7-17(8-6-16)28-14-15-9-11-22-12-10-15/h5-13H,14H2,1-4H3,(H2,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114249
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-p-t...)Show SMILES Cc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C22H26N4O2/c1-15-6-10-17(11-7-15)28-18-12-8-16(9-13-18)23-21(27)24-20-14-19(22(2,3)4)25-26(20)5/h6-14H,1-5H3,(H2,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114236
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccc(cc2)C(C)(C)C)cc1)C(C)(C)C Show InChI InChI=1S/C25H32N4O2/c1-24(2,3)17-8-12-19(13-9-17)31-20-14-10-18(11-15-20)26-23(30)27-22-16-21(25(4,5)6)28-29(22)7/h8-16H,1-7H3,(H2,26,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114246
(CHEMBL40020 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2H...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC(O)=O)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C26H31N5O4/c1-26(2,3)21-16-22(31(4)30-21)29-25(35)28-20-11-7-18(8-12-20)15-17-5-9-19(10-6-17)27-23(32)13-14-24(33)34/h5-12,16H,13-15H2,1-4H3,(H,27,32)(H,33,34)(H2,28,29,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114243
(CHEMBL289155 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C23H27N5O3/c1-15(29)24-16-6-10-18(11-7-16)31-19-12-8-17(9-13-19)25-22(30)26-21-14-20(23(2,3)4)27-28(21)5/h6-14H,1-5H3,(H,24,29)(H2,25,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114237
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(OCc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-16-5-7-17(8-6-16)28-14-15-9-11-22-12-10-15/h5-13H,14H2,1-4H3,(H2,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114254
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-phe...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H24N4O2/c1-21(2,3)18-14-19(25(4)24-18)23-20(26)22-15-10-12-17(13-11-15)27-16-8-6-5-7-9-16/h5-14H,1-4H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114234
(1-[4-(4-Amino-benzyl)-phenyl]-3-(5-tert-butyl-2-me...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C22H27N5O/c1-22(2,3)19-14-20(27(4)26-19)25-21(28)24-18-11-7-16(8-12-18)13-15-5-9-17(23)10-6-15/h5-12,14H,13,23H2,1-4H3,(H2,24,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114241
(1-[4-(4-Amino-phenoxy)-phenyl]-3-(5-tert-butyl-2-m...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-15-7-11-17(12-8-15)28-16-9-5-14(22)6-10-16/h5-13H,22H2,1-4H3,(H2,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114256
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Nc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H24N6O/c1-20(2,3)17-13-18(26(4)25-17)24-19(27)23-15-7-5-14(6-8-15)22-16-9-11-21-12-10-16/h5-13H,1-4H3,(H,21,22)(H2,23,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114255
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(CCc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C22H27N5O/c1-22(2,3)19-15-20(27(4)26-19)25-21(28)24-18-9-7-16(8-10-18)5-6-17-11-13-23-14-12-17/h7-15H,5-6H2,1-4H3,(H2,24,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50088527
(CHEMBL3527358)Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0950 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50088525
(CHEMBL3526173)Show SMILES [H][C@]1(C[C@H]2O[C@]2(C)[C@@]2([H])[C@H](OC)[C@@H](CC[C@]22CO2)OC(=O)N[C@H](C(C)C)C(N)=O)OC1(C)C |r| Show InChI InChI=1S/C22H36N2O7/c1-11(2)15(18(23)25)24-19(26)29-12-7-8-22(10-28-22)17(16(12)27-6)21(5)14(31-21)9-13-20(3,4)30-13/h11-17H,7-10H2,1-6H3,(H2,23,25)(H,24,26)/t12-,13-,14-,15-,16-,17-,21+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50088524
(CHEMBL3527328)Show SMILES [H][C@@]1(C[C@H]2O[C@]2(C)[C@@]2([H])[C@H](OC)[C@@H](CC[C@]22CO2)OC(=O)N[C@H](C(C)C)C(N)=O)OC1(C)C |r| Show InChI InChI=1S/C22H36N2O7/c1-11(2)15(18(23)25)24-19(26)29-12-7-8-22(10-28-22)17(16(12)27-6)21(5)14(31-21)9-13-20(3,4)30-13/h11-17H,7-10H2,1-6H3,(H2,23,25)(H,24,26)/t12-,13+,14-,15-,16-,17-,21+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50088523
(CHEMBL3527383)Show SMILES [H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N[C@H](C(C)C)C(N)=O)[C@@]1(C)O[C@@H]1C\C=C(/C)CO |r| Show InChI InChI=1S/C22H36N2O7/c1-12(2)16(19(23)26)24-20(27)30-14-8-9-22(11-29-22)18(17(14)28-5)21(4)15(31-21)7-6-13(3)10-25/h6,12,14-18,25H,7-11H2,1-5H3,(H2,23,26)(H,24,27)/b13-6+/t14-,15-,16-,17-,18-,21+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50088522
(CHEMBL3527218)Show SMILES [H][C@]1(C[C@H]2O[C@]2(C)[C@@]2([H])[C@H](OC)[C@@H](CC[C@]22CO2)OC(=O)N[C@@H](C(N)=O)C(C)(C)O)OC1(C)C |r| Show InChI InChI=1S/C22H36N2O8/c1-19(2,27)16(17(23)25)24-18(26)30-11-7-8-22(10-29-22)15(14(11)28-6)21(5)13(32-21)9-12-20(3,4)31-12/h11-16,27H,7-10H2,1-6H3,(H2,23,25)(H,24,26)/t11-,12-,13-,14-,15-,16+,21+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.80 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50088521
(CHEMBL3527219)Show SMILES [H][C@@]1(C[C@H]2O[C@]2(C)[C@@]2([H])[C@H](OC)[C@@H](CC[C@]22CO2)OC(=O)N[C@@H](C(N)=O)C(C)(C)O)OC1(C)C |r| Show InChI InChI=1S/C22H36N2O8/c1-19(2,27)16(17(23)25)24-18(26)30-11-7-8-22(10-29-22)15(14(11)28-6)21(5)13(32-21)9-12-20(3,4)31-12/h11-16,27H,7-10H2,1-6H3,(H2,23,25)(H,24,26)/t11-,12+,13-,14-,15-,16+,21+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50088526
(CHEMBL3527591)Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#7])=O)C([#6])([#6])[#8])[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C22H36N2O7/c1-12(2)7-8-14-21(5,31-14)16-15(28-6)13(9-10-22(16)11-29-22)30-19(26)24-17(18(23)25)20(3,4)27/h7,13-17,27H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t13-,14-,15-,16-,17+,21+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |