BDBM50357917 CHEMBL1916531

SMILES: CCOCCOc1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1

InChI Key: InChIKey=WMFDBAZCTBIKKC-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357917   

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))	BDBM50357917 (CHEMBL1916531) Show SMILES CCOCCOc1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(39.4,-4.5,;38.07,-5.26,;36.74,-4.49,;35.4,-5.26,;34.07,-4.48,;32.73,-5.25,;31.4,-4.48,;31.4,-2.93,;30.07,-2.15,;30.07,-.62,;31.4,.15,;31.4,1.69,;30.07,2.46,;28.73,1.68,;28.74,.15,;27.41,-.63,;28.73,-2.93,;27.4,-2.16,;26.07,-2.93,;26.07,-4.48,;24.73,-5.25,;27.4,-5.25,;27.41,-6.78,;26.07,-7.55,;24.74,-6.78,;26.07,-9.09,;27.41,-9.86,;28.75,-9.08,;28.74,-7.54,;30.07,-6.77,;28.73,-4.47,;30.06,-5.24,)| Show InChI InChI=1S/C24H19Cl3N2O3/c1-2-31-12-13-32-21-14-17(15-6-3-4-7-18(15)25)16-10-11-29(30)24(23(16)28-21)22-19(26)8-5-9-20(22)27/h3-11,14H,2,12-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
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