Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 13' and Ligand = 'BDBM50219253'   

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 13 (Mus musculus)	BDBM50219253 (CHEMBL161197) Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NC2CC2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.33,(10.32,.96,;9.56,-.37,;8.65,.88,;7.12,.72,;6.51,-.7,;7.4,-1.94,;8.93,-1.78,;4.98,-.86,;4.21,-2.19,;2.69,-1.87,;2.53,-.35,;3.94,.28,;1.2,.42,;1.2,1.96,;-.14,2.73,;-1.47,1.96,;-1.47,.42,;-2.81,-.35,;-4.14,.42,;-5.64,.02,;-4.73,1.97,;-.14,-.35,;1.55,-2.92,;1.87,-4.41,;.75,-5.43,;-.72,-4.97,;-1.87,-6,;-1.05,-3.46,;.09,-2.43,;10.89,-1.14,;10.89,-2.68,;12.22,-.37,;13.55,-1.15,;14.88,-.38,;14.89,1.16,;13.56,1.93,;12.21,1.17,)| Show InChI InChI=1S/C26H29FN6O4/c1-26(24(34)33-10-12-35-13-11-33)14-36-23(37-15-26)22-31-20(16-2-4-17(27)5-3-16)21(32-22)19-8-9-28-25(30-19)29-18-6-7-18/h2-5,8-9,18,23H,6-7,10-15H2,1H3,(H,31,32)(H,28,29,30)/t23-,26-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibition of murine Mitogen-activated protein kinase p38				Bioorg Med Chem Lett 11: 693-6 (2001) BindingDB Entry DOI: 10.7270/Q2F191WG
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