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 = 'BDBM50194052'   

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))	BDBM50194052 (5-4-2-chloro-5-trifluoromethyl)phenoxy)phenylamino...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(ccc3Cl)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H18ClF3N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-12-3-5-13(6-4-12)31-15-8-11(20(22,23)24)2-7-14(15)21/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)	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	540	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))	BDBM50194052 (5-4-2-chloro-5-trifluoromethyl)phenoxy)phenylamino...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(ccc3Cl)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H18ClF3N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-12-3-5-13(6-4-12)31-15-8-11(20(22,23)24)2-7-14(15)21/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)	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