BDBM50398463 CHEMBL2179125

SMILES: COCn1c(nc(c1-c1ncnc2nc[nH]c12)-c1ccc(F)cc1)-c1ccccc1

InChI Key: InChIKey=DECMYQMYXLBUBX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398463   

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 14 (Homo sapiens (Human))	BDBM50398463 (CHEMBL2179125) Show SMILES COCn1c(nc(c1-c1ncnc2nc[nH]c12)-c1ccc(F)cc1)-c1ccccc1 |(5.34,-21.61,;5.83,-20.15,;7.34,-19.84,;7.83,-18.38,;6.95,-17.13,;7.86,-15.89,;9.32,-16.38,;9.3,-17.92,;10.64,-18.69,;11.96,-17.92,;13.3,-18.68,;13.31,-20.22,;11.97,-21,;11.65,-22.51,;10.12,-22.67,;9.49,-21.26,;10.64,-20.23,;10.63,-15.57,;11.98,-16.31,;13.3,-15.5,;13.25,-13.96,;14.56,-13.15,;11.89,-13.23,;10.58,-14.04,;5.41,-17.12,;4.66,-15.77,;3.12,-15.75,;2.33,-17.08,;3.1,-18.43,;4.63,-18.44,)| Show InChI InChI=1S/C22H17FN6O/c1-30-13-29-20(18-19-21(26-11-24-18)27-12-25-19)17(14-7-9-16(23)10-8-14)28-22(29)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tuebingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK				J Med Chem 55: 8429-39 (2012) Article DOI: 10.1021/jm300852w BindingDB Entry DOI: 10.7270/Q2765GGT
					More data for this Ligand-Target Pair