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

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 5 hits for monomerid = 21896   

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...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)	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...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)	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...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)	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...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)	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...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)	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