BDBM28119 3-cyanoquinoline, 4::4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinoline-3-carbonitrile::CHEMBL323515

SMILES: COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N

InChI Key: InChIKey=YHAJJCOJWJKFSB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 28119   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM28119 (3-cyanoquinoline, 4 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N Show InChI InChI=1S/C28H29ClN6O2S/c1-34-12-8-31-28(34)38-26-7-6-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)37-13-5-11-35-9-3-4-10-35/h6-8,12,14-16,18H,3-5,9-11,13H2,1-2H3,(H,32,33)	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	4	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
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM28119 (3-cyanoquinoline, 4 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N Show InChI InChI=1S/C28H29ClN6O2S/c1-34-12-8-31-28(34)38-26-7-6-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)37-13-5-11-35-9-3-4-10-35/h6-8,12,14-16,18H,3-5,9-11,13H2,1-2H3,(H,32,33)	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	88	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