BDBM50153859 CHEMBL184659::N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE::N-{3-[7-Methoxy-6-(2-pyrrolidin-1-yl-ethoxy)-quinazolin-4-ylamino]-4-methyl-phenyl}-2-morpholin-4-yl-isonicotinamide
SMILES: COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCC1
InChI Key: InChIKey=LGTPGGBSDIEHKM-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 2 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50153859 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50153859
(CHEMBL184659 | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-...)Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCC1 Show InChI InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Foundation
Curated by ChEMBL
| Assay Description Inhibition of p38alpha kinase |
Nat Chem Biol 2: 358-64 (2006)
Article DOI: 10.1038/nchembio799 BindingDB Entry DOI: 10.7270/Q2CC10WV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50153859
(CHEMBL184659 | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-...)Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCC1 Show InChI InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibitory concentration against alpha mitogen activated protein kinase p38 activity |
Bioorg Med Chem Lett 14: 5389-94 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.007 BindingDB Entry DOI: 10.7270/Q24Q7TGZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |