Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 2' and Ligand = 'BDBM50362137'   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50362137 (CHEMBL1940658) Show SMILES COc1ccncc1-c1ncccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C34H30N6O3/c1-42-31-14-16-37-22-29(31)33-26(3-2-15-38-33)23-40(28-10-8-27(9-11-28)39-19-17-36-18-20-39)34(41)32-13-12-30(43-32)25-6-4-24(21-35)5-7-25/h2-16,22,36H,17-20,23H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MK2				Bioorg Med Chem Lett 22: 65-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.074 BindingDB Entry DOI: 10.7270/Q2R78FNS
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