Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50187821'   

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))	BDBM50187821 (3-hydroxy-5-(4-iodophenylamino)-N-isopropylisothia...) Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2)s[nH]c1=O Show InChI InChI=1S/C13H15IN4OS/c1-7(2)16-11(15)10-12(19)18-20-13(10)17-9-5-3-8(14)4-6-9/h3-7,17H,1-2H3,(H2,15,16)(H,18,19)	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	510	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))	BDBM50187821 (3-hydroxy-5-(4-iodophenylamino)-N-isopropylisothia...) Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2)s[nH]c1=O Show InChI InChI=1S/C13H15IN4OS/c1-7(2)16-11(15)10-12(19)18-20-13(10)17-9-5-3-8(14)4-6-9/h3-7,17H,1-2H3,(H2,15,16)(H,18,19)	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187821 (3-hydroxy-5-(4-iodophenylamino)-N-isopropylisothia...) Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2)s[nH]c1=O Show InChI InChI=1S/C13H15IN4OS/c1-7(2)16-11(15)10-12(19)18-20-13(10)17-9-5-3-8(14)4-6-9/h3-7,17H,1-2H3,(H2,15,16)(H,18,19)	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	8.32E+3	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