BDBM28118 3-cyanoquinoline, 3::4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methoxyquinoline-3-carbonitrile::CHEMBL103045
SMILES: CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1
InChI Key: InChIKey=AXHWESODWDIJCC-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Insulin-like growth factor I receptor (Homo sapiens (Human)) | BDBM28118 (3-cyanoquinoline, 3 | 4-({3-chloro-4-[(1-methyl-1H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research | Assay Description Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com... | Bioorg Med Chem Lett 19: 62-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.037 BindingDB Entry DOI: 10.7270/Q2M32T38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human)) | BDBM28118 (3-cyanoquinoline, 3 | 4-({3-chloro-4-[(1-methyl-1H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of MEK1 (unknown origin) by raf/MEK1/MAPK coupled assay | Bioorg Med Chem 16: 9202-11 (2008) Article DOI: 10.1016/j.bmc.2008.09.009 BindingDB Entry DOI: 10.7270/Q2DJ5FGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human)) | BDBM28118 (3-cyanoquinoline, 3 | 4-({3-chloro-4-[(1-methyl-1H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay | Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T | |||||||||||
More data for this Ligand-Target Pair |