Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50209672'   

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))	BDBM50209672 (CHEMBL3884222) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccc(NC(C)=O)cc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C26H28ClN7O3/c1-4-24(36)31-22-15-19(29-17(2)35)7-10-23(22)37-25-21(27)16-28-26(32-25)30-18-5-8-20(9-6-18)34-13-11-33(3)12-14-34/h4-10,15-16H,1,11-14H2,2-3H3,(H,29,35)(H,31,36)(H,28,30,32)	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	4.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
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