BDBM21917 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[({5-[4-hydroxy-1-(propan-2-yl)piperidin-4-yl]pyridin-3-yl}methyl)amino]quinoline-3-carbonitrile::Cyanoquinoline, 30
SMILES: CC(C)N1CCC(O)(CC1)c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1
InChI Key: InChIKey=WNCLPXGGXFSSNB-UHFFFAOYSA-N
Data: 1 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 kinase kinase 8 (Homo sapiens (Human)) | BDBM21917 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[({5...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Wyeth Research | Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati... | J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441 | |||||||||||
More data for this Ligand-Target Pair |