BDBM15995 2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzamide::4-anilinopyrimidine 2a
SMILES: NC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChI Key: InChIKey=TVKTVNQGZQPCAT-UHFFFAOYSA-N
Data: 1 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM15995 (2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzamide ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 34 | n/a | n/a | n/a | n/a | 7.2 | 20 |
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 |