BDBM21896 4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile::BMCL193485 Compound 2::CHEMBL220037::Cyanoquinoline, 2
SMILES: Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
InChI Key: InChIKey=HFOOHVUKODGHBP-UHFFFAOYSA-N
Data: 5 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)) | BDBM21896 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | 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 | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM21896 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research | Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat... | 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 | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM21896 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of EGFR kinase autophosphorylation in A431 cells | Bioorg Med Chem 15: 6425-42 (2007) Article DOI: 10.1016/j.bmc.2007.06.054 BindingDB Entry DOI: 10.7270/Q2T43STV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human)) | BDBM21896 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of Tpl2 kinase by ELISA | Bioorg Med Chem Lett 16: 6067-72 (2006) Article DOI: 10.1016/j.bmcl.2006.08.102 BindingDB Entry DOI: 10.7270/Q2W958TR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human)) | BDBM21896 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19 | 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 217 and 221 of GST-MEK1 was detected by ... | Bioorg Med Chem Lett 19: 3485-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.009 BindingDB Entry DOI: 10.7270/Q2HT2MN8 | |||||||||||
More data for this Ligand-Target Pair |