BindingDB PrimarySearch

BDBM28123 3-cyanoquinoline, 8::4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile::CHEMBL318804

SMILES: COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N

InChI Key: InChIKey=QSENMPAGYMUVDE-UHFFFAOYSA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 28123
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 \| 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	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
Wyeth Research					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 \| 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8	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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 \| 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of EGFR phosphorylation in LoVo cells				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1 (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 \| 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK-1 Kinase phosphorylation in LoVo cells				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2 (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 \| 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation in LoVo cells				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 \| 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL									Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 \| 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation in LoVo cells				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair