Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50139004'   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50139004 (CHEMBL3752694) Show SMILES COc1cc2nc(NC(=O)c3csc(COc4ccc(F)cc4)n3)sc2cc1OC Show InChI InChI=1S/C20H16FN3O4S2/c1-26-15-7-13-17(8-16(15)27-2)30-20(23-13)24-19(25)14-10-29-18(22-14)9-28-12-5-3-11(21)4-6-12/h3-8,10H,9H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) by ELISA				Bioorg Med Chem Lett 26: 955-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.056 BindingDB Entry DOI: 10.7270/Q24J0GZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)