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 = 'BDBM50420698'   

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))	BDBM50420698 (CHEMBL2087082) Show SMILES CCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F Show InChI InChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay				J Med Chem 55: 4594-604 (2012) Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50420698 (CHEMBL2087082) Show SMILES CCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F Show InChI InChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method				J Med Chem 55: 4594-604 (2012) Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50420698 (CHEMBL2087082) Show SMILES CCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F Show InChI InChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method				J Med Chem 55: 4594-604 (2012) Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M
					More data for this Ligand-Target Pair