Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 9' and Ligand = 'BDBM50363455'   

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 9 (Homo sapiens (Human))	BDBM50363455 (CHEMBL1946333) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-11.53,-21.51,;-10.75,-20.18,;-11.51,-18.84,;-10.74,-17.51,;-9.2,-17.52,;-8.43,-18.84,;-9.2,-20.18,;-8.44,-16.18,;-6.9,-16.18,;-6.13,-14.85,;-4.59,-14.85,;-3.83,-16.18,;-2.33,-16.49,;-2.17,-18.02,;-.84,-18.79,;.49,-18.03,;1.83,-18.8,;3.16,-18.02,;3.16,-16.47,;1.82,-15.71,;.5,-16.48,;-.84,-15.71,;-3.58,-18.65,;-3.58,-20.19,;-4.83,-21.09,;-4.36,-22.55,;-2.82,-22.56,;-2.34,-21.1,;-4.6,-17.51,;-6.13,-17.51,)| Show InChI InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)/t14-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
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