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 = 'BDBM50194035'   

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))	BDBM50194035 (5-4-2-chloro-5-fluorophenoxy)-3-methylphenylamino)...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)c(C)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(4-6-15(10)29-16-8-12(22)3-5-14(16)21)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	280	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))	BDBM50194035 (5-4-2-chloro-5-fluorophenoxy)-3-methylphenylamino)...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)c(C)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(4-6-15(10)29-16-8-12(22)3-5-14(16)21)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	350	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