Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 2' and Ligand = 'BDBM50362123'   

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))	BDBM50362123 (CHEMBL1940644) Show SMILES Cc1noc(C)c1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1 |(5.23,-8.04,;5.69,-9.51,;4.77,-10.74,;5.66,-12,;7.14,-11.54,;8.37,-12.46,;7.15,-9.99,;8.41,-9.1,;9.75,-9.86,;11.08,-9.07,;11.05,-7.52,;9.71,-6.78,;8.4,-7.56,;7.06,-6.8,;7.04,-5.26,;5.7,-4.51,;5.69,-2.97,;4.38,-5.29,;3.9,-6.76,;2.35,-6.76,;1.87,-5.29,;3.13,-4.39,;.52,-4.57,;.47,-3.03,;-.88,-2.3,;-2.2,-3.11,;-2.14,-4.66,;-.79,-5.38,;-3.55,-2.39,;-4.91,-1.66,;8.37,-4.48,;9.71,-5.24,;11.03,-4.46,;11.02,-2.92,;9.66,-2.16,;8.35,-2.95,;12.34,-2.14,;13.68,-2.9,;15,-2.12,;14.99,-.58,;13.65,.18,;12.32,-.6,)| Show InChI InChI=1S/C34H31N5O3/c1-23-33(24(2)42-37-23)30-6-4-3-5-27(30)22-39(29-13-11-28(12-14-29)38-19-17-36-18-20-38)34(40)32-16-15-31(41-32)26-9-7-25(21-35)8-10-26/h3-16,36H,17-20,22H2,1-2H3	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	21	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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