BDBM16325 3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-isoxazol-3-yl-4-methylbenzamide::3-{[5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino}-4-methyl-N-(1,2-oxazol-3-yl)benzamide::5-Cyanopyrimidine Derivative 3a
SMILES: CC(C)Nc1ncnc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
InChI Key: InChIKey=QWHMQQHHLRCLLD-UHFFFAOYSA-N
Data: 1 KI
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)) | BDBM16325 (3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.410 | -12.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Bristol-Myers Squibb Company | Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i... | J Med Chem 48: 6261-70 (2005) Article DOI: 10.1021/jm0503594 BindingDB Entry DOI: 10.7270/Q25X276T | |||||||||||
More data for this Ligand-Target Pair |