Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50028625 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 9
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | 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
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of JNK2alpha2 (unknown origin) by by exchange curve binding kinetic analysis |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50218689
(CHEMBL245230 | N-(5-tert-butyl-2-methoxy-3-(3-naph...)Show SMILES COc1c(NC(=O)Nc2cccc3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C23H27N3O4S/c1-23(2,3)16-13-19(21(30-4)20(14-16)26-31(5,28)29)25-22(27)24-18-12-8-10-15-9-6-7-11-17(15)18/h6-14,26H,1-5H3,(H2,24,25,27) | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Binding affinity to p38alpha (unknown origin) assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of Abl (unknown origin) |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | 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
| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of craf (unknown origin) |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of Lyn (unknown origin) |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50218677
(CHEMBL242005 | N-(5-tert-butyl-2-methoxy-3-(methyl...)Show SMILES COc1c(NC(=O)c2cc3ccccc3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C21H24N2O4S2/c1-21(2,3)14-11-15(19(27-4)16(12-14)23-29(5,25)26)22-20(24)18-10-13-8-6-7-9-17(13)28-18/h6-12,23H,1-5H3,(H,22,24) | 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 | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Binding affinity to p38alpha (unknown origin) assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Ephrin type-A receptor 3
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of HEK (unknown origin) |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50277627
(1-(5-tert-butyl-2-methoxyphenyl)-3-(naphthalen-1-y...)Show InChI InChI=1S/C22H24N2O2/c1-22(2,3)16-12-13-20(26-4)19(14-16)24-21(25)23-18-11-7-9-15-8-5-6-10-17(15)18/h5-14H,1-4H3,(H2,23,24,25) | 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 | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Binding affinity to p38alpha (unknown origin) assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50218695
(CHEMBL390254 | N-(5-tert-butyl-2-methoxy-3-(methyl...)Show SMILES COc1c(NC(=O)c2cc3ccccc3o2)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C21H24N2O5S/c1-21(2,3)14-11-15(19(27-4)16(12-14)23-29(5,25)26)22-20(24)18-10-13-8-6-7-9-17(13)28-18/h6-12,23H,1-5H3,(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Binding affinity to p38alpha (unknown origin) assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | 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
| Article PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of ECK (unknown origin) |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of PKBalpha/Akt1 (unknown origin) |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50277623
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | 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
| Article PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Inhibition of bRaf (unknown origin) |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50277662
(CHEMBL484405 | N-(5-tert-butyl-2-methoxyphenyl)ben...)Show InChI InChI=1S/C20H21NO3/c1-20(2,3)14-9-10-17(23-4)15(12-14)21-19(22)18-11-13-7-5-6-8-16(13)24-18/h5-12H,1-4H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Binding affinity to p38alpha (unknown origin) assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50277663
(CHEMBL519511 | N-(5-tert-butyl-2-methoxyphenyl)ben...)Show InChI InChI=1S/C20H21NO2S/c1-20(2,3)14-9-10-16(23-4)15(12-14)21-19(22)18-11-13-7-5-6-8-17(13)24-18/h5-12H,1-4H3,(H,21,22) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Binding affinity to p38alpha (unknown origin) assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Binding affinity to p38alpha (unknown origin) by exchange curve binding kinetic analysis |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50277615
(1-(5-tert-butyl-2-methoxyphenyl)-3-(4-(6-(morpholi...)Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H36N4O3/c1-32(2,3)23-10-14-30(38-4)29(19-23)35-31(37)34-28-13-12-25(26-7-5-6-8-27(26)28)22-9-11-24(33-20-22)21-36-15-17-39-18-16-36/h5-14,19-20H,15-18,21H2,1-4H3,(H2,34,35,37) | 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 | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceutical
Curated by ChEMBL
| Assay Description Binding affinity to p38alpha (unknown origin) by exchange curve binding kinetic analysis |
Bioorg Med Chem Lett 19: 2386-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.104 BindingDB Entry DOI: 10.7270/Q22N525R |
More data for this Ligand-Target Pair | |