Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 9' and Ligand = 'BDBM104968'   

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))	BDBM104968 (US8569306, 5) Show SMILES CS(=O)(=O)CCCOc1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(6.01,5.4,;4.92,4.31,;3.43,4.71,;6.4,3.91,;5.32,2.82,;4.23,1.74,;4.63,.25,;3.54,-.84,;2.05,-.44,;.9,-1.47,;-.56,-1,;-.88,.51,;.26,1.54,;.26,3.08,;1.73,3.56,;2.63,2.31,;1.73,1.06,;-1.07,3.85,;-1.07,5.39,;-2.4,6.16,;-3.74,5.39,;-3.74,3.85,;-5.07,3.08,;-5.07,1.54,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-6.4,-.77,;-6.4,.77,;-5.07,-3.08,;-6.4,-3.85,;-3.74,-3.85,;-3.72,-5.39,;-2.39,-6.16,;-1.05,-5.39,;.28,-6.16,;-1.05,-3.85,;-2.39,-3.08,;-2.4,3.08,)| Show InChI InChI=1S/C27H36N6O5S/c1-39(36,37)17-3-16-38-24-4-2-13-33-23(18-29-25(24)33)22-9-12-28-27(31-22)30-20-7-5-19(6-8-20)26(35)32-14-10-21(34)11-15-32/h2,4,9,12-13,18-21,34H,3,5-8,10-11,14-17H2,1H3,(H,28,30,31)/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50.3	n/a	n/a	n/a	n/a	7.5	30
Hoffmann-La Roche, Inc. US Patent					Assay Description Inhibition assay using JNK kinase.				US Patent US8569306 (2013) BindingDB Entry DOI: 10.7270/Q2XK8D6J
					More data for this Ligand-Target Pair