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SMILES: C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1

InChI Key: InChIKey=CGPLPXSUQNDZNQ-CCURTVBJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219254   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM50219254 (CHEMBL347592) Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.37,(10.24,-.19,;9.47,-1.52,;8.56,-.28,;7.03,-.44,;6.42,-1.85,;7.31,-3.09,;8.84,-2.94,;4.88,-2.01,;4.11,-3.34,;2.61,-3.03,;2.45,-1.5,;3.85,-.87,;1.1,-.73,;1.1,.81,;-.23,1.58,;-1.56,.81,;-1.56,-.73,;-2.89,-1.5,;-4.22,-.73,;-4.22,.81,;-5.55,1.58,;-5.55,3.1,;-4.22,3.89,;-2.89,3.1,;-2.89,1.56,;-.23,-1.5,;1.47,-4.07,;,-3.59,;-1.14,-4.62,;-.82,-6.12,;-1.96,-7.16,;.65,-6.59,;1.8,-5.56,;10.8,-2.29,;10.8,-3.83,;12.13,-1.52,;13.46,-2.31,;14.79,-1.54,;14.8,,;13.47,.77,;12.13,.02,)| Show InChI InChI=1S/C30H31FN6O4/c1-30(28(38)37-13-15-39-16-14-37)18-40-27(41-19-30)26-35-24(21-7-9-22(31)10-8-21)25(36-26)23-11-12-32-29(34-23)33-17-20-5-3-2-4-6-20/h2-12,27H,13-19H2,1H3,(H,35,36)(H,32,33,34)/t27-,30-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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
					More data for this Ligand-Target Pair