Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 13' and Ligand = 'BDBM50473622'   

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)	BDBM50473622 (CHEMBL70705 | RPR-239497) Show SMILES CC(C)NC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(22.4,-13.11,;23.18,-11.78,;24.72,-11.79,;22.42,-10.43,;20.88,-10.43,;20.1,-11.76,;20.11,-9.1,;20.88,-7.77,;19.35,-7.77,;17.82,-7.77,;17.04,-9.1,;17.82,-10.43,;19.33,-10.43,;15.5,-9.1,;14.59,-10.34,;13.12,-9.86,;13.13,-8.3,;14.61,-7.84,;11.8,-7.53,;11.8,-5.99,;10.45,-5.22,;9.12,-5.99,;9.12,-7.53,;7.79,-8.3,;6.46,-7.53,;5.12,-8.3,;3.58,-8.3,;4.35,-9.64,;10.45,-8.3,;11.88,-10.76,;12.04,-12.28,;10.8,-13.19,;9.38,-12.56,;8.04,-13.32,;9.22,-11.01,;10.48,-10.12,)| Show InChI InChI=1S/C26H31FN6O3/c1-15(2)30-24(34)26(3)13-35-23(36-14-26)22-32-20(17-6-8-18(27)9-7-17)21(33-22)19-10-11-28-25(31-19)29-12-16-4-5-16/h6-11,15-16,23H,4-5,12-14H2,1-3H3,(H,30,34)(H,32,33)(H,28,29,31)/t23-,26-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma S.A. Curated by ChEMBL					Assay Description Inhibition of murine Mitogen-activated protein kinase p38				J Med Chem 45: 2173-84 (2002) Article DOI: 10.1021/jm011132l BindingDB Entry DOI: 10.7270/Q2WW7MFK
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