BDBM16011 2-{[5-fluoro-2-(phenylamino)pyrimidin-4-yl]amino}benzoic acid::4-anilinopyrimidine 14a::Bisanilinopyrimidine, 3m::US9249124, 14
SMILES: OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F
InChI Key: InChIKey=HBJUFAHIACMPFY-UHFFFAOYSA-N
Data: 3 IC50
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 8 (Homo sapiens (Human)) | BDBM16011 (2-{[5-fluoro-2-(phenylamino)pyrimidin-4-yl]amino}b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm... | Bioorg Med Chem Lett 17: 668-72 (2007) Article DOI: 10.1016/j.bmcl.2006.10.093 BindingDB Entry DOI: 10.7270/Q2J964N4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM16011 (2-{[5-fluoro-2-(phenylamino)pyrimidin-4-yl]amino}b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 11.3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent | Assay Description Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v)... | US Patent US9249124 (2016) BindingDB Entry DOI: 10.7270/Q2J1020R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM16011 (2-{[5-fluoro-2-(phenylamino)pyrimidin-4-yl]amino}b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center | Assay Description In vitro enzyme activity assay using Aurora Kinase A. | J Med Chem 55: 7392-416 (2012) Article DOI: 10.1021/jm300334d BindingDB Entry DOI: 10.7270/Q2V986NH | |||||||||||
More data for this Ligand-Target Pair |