Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50411407'   

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))	BDBM50411407 (CHEMBL232610) Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)c1ccn[nH]1)c1cccc2ccccc12 Show InChI InChI=1S/C23H17N5O2S/c24-13-18-17-9-4-12-28(22(30)19-10-11-25-27-19)23(17)31-21(18)26-20(29)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,10-11H,4,9,12H2,(H,25,27)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant full length ERK2				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
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