BDBM50398462 CHEMBL2179126

SMILES: COCn1c(nc(c1-c1ccnc2[nH]ccc12)-c1ccc(F)cc1)-c1ccccc1

InChI Key: InChIKey=HBFOEPDZNVUJBQ-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 = 50398462   

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))	BDBM50398462 (CHEMBL2179126) Show SMILES COCn1c(nc(c1-c1ccnc2[nH]ccc12)-c1ccc(F)cc1)-c1ccccc1 |(18.71,-20.69,;19.2,-19.23,;20.71,-18.93,;21.2,-17.47,;20.31,-16.21,;21.23,-14.97,;22.69,-15.46,;22.67,-17.01,;24,-17.77,;25.33,-17,;26.67,-17.76,;26.67,-19.31,;25.34,-20.08,;25.02,-21.59,;23.49,-21.75,;22.86,-20.34,;24,-19.31,;24,-14.66,;25.35,-15.39,;26.66,-14.59,;26.62,-13.05,;27.93,-12.24,;25.26,-12.31,;23.95,-13.12,;18.78,-16.2,;18.02,-14.85,;16.48,-14.84,;15.7,-16.16,;16.46,-17.51,;18,-17.52,)| Show InChI InChI=1S/C24H19FN4O/c1-30-15-29-22(19-11-13-26-23-20(19)12-14-27-23)21(16-7-9-18(25)10-8-16)28-24(29)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,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	451	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
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