Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50194033'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50194033 (5-4-2-chloro-4-fluorophenoxy)-2-methylphenylamino)...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)cc2C)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(29-16-6-3-12(22)8-14(16)21)4-5-15(10)25-20-17(19(28)26-30-20)18(23)24-11(2)9-27/h3-8,11,25,27H,9H2,1-2H3,(H2,23,24)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceuticals Research & Development Curated by ChEMBL					Assay Description Inhibition of MEK-1 activity				Bioorg Med Chem Lett 16: 5561-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.048 BindingDB Entry DOI: 10.7270/Q2J38S5D
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50194033 (5-4-2-chloro-4-fluorophenoxy)-2-methylphenylamino)...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)cc2C)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(29-16-6-3-12(22)8-14(16)21)4-5-15(10)25-20-17(19(28)26-30-20)18(23)24-11(2)9-27/h3-8,11,25,27H,9H2,1-2H3,(H2,23,24)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Valeant Pharmaceuticals Research & Development Curated by ChEMBL					Assay Description Inhibitory activity against MEK-1				Bioorg Med Chem Lett 16: 5561-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.048 BindingDB Entry DOI: 10.7270/Q2J38S5D
					More data for this Ligand-Target Pair