Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 9' and Ligand = 'BDBM50363462'   

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))	BDBM50363462 (CHEMBL1946340) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:22.22,25.26,(4.81,-38.68,;6.35,-38.68,;7.12,-37.34,;6.35,-36.01,;7.12,-34.67,;8.66,-34.68,;9.43,-33.35,;10.97,-33.34,;11.74,-32.01,;13.27,-32.01,;14.04,-33.34,;15.54,-33.66,;15.7,-35.19,;17.03,-35.96,;18.37,-35.19,;19.7,-35.96,;21.04,-35.19,;21.04,-33.64,;19.7,-32.87,;18.37,-33.64,;17.03,-32.87,;14.29,-35.82,;14.29,-37.35,;12.95,-38.11,;12.94,-39.64,;14.27,-40.42,;14.26,-41.96,;15.61,-39.66,;15.62,-38.11,;13.26,-34.67,;11.74,-34.67,;9.43,-36,;8.67,-37.34,)| Show InChI InChI=1S/C24H25FN6O2/c1-33-18-12-6-15(7-13-18)27-23-26-14-21-22(30-23)31(16-8-10-17(32)11-9-16)24(29-21)28-20-5-3-2-4-19(20)25/h2-7,12-14,16-17,32H,8-11H2,1H3,(H,28,29)(H,26,27,30)/t16-,17+	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	14	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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