BDBM50421131 CHEMBL2088581

SMILES: Fc1ccc(Oc2ccc3c(-c4cc(ccc4F)C(=O)N4CCCC4)c(=O)ccn3n2)c(F)c1

InChI Key: InChIKey=JAHVLSUIOLCZNU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50421131   

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
MAP kinase p38 beta (Mus musculus (mouse))	BDBM50421131 (CHEMBL2088581) Show SMILES Fc1ccc(Oc2ccc3c(-c4cc(ccc4F)C(=O)N4CCCC4)c(=O)ccn3n2)c(F)c1 |(31.97,-26.04,;31.96,-24.5,;30.62,-23.73,;30.62,-22.19,;31.95,-21.42,;31.94,-19.88,;30.61,-19.12,;30.6,-17.58,;29.27,-16.82,;27.96,-17.59,;26.63,-16.82,;26.62,-15.29,;27.96,-14.52,;27.95,-12.97,;26.62,-12.2,;25.29,-12.97,;25.29,-14.52,;23.95,-15.29,;29.29,-12.19,;29.28,-10.65,;30.62,-12.96,;30.8,-14.49,;32.3,-14.8,;33.07,-13.46,;32.03,-12.32,;25.29,-17.59,;23.96,-16.82,;25.29,-19.13,;26.62,-19.9,;27.96,-19.12,;29.28,-19.88,;33.28,-22.18,;34.61,-21.4,;33.29,-23.71,)| Show InChI InChI=1S/C25H18F3N3O3/c26-16-4-7-22(19(28)14-16)34-23-8-6-20-24(21(32)9-12-31(20)29-23)17-13-15(3-5-18(17)27)25(33)30-10-1-2-11-30/h3-9,12-14H,1-2,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay				Bioorg Med Chem Lett 22: 5979-83 (2012) Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0
					More data for this Ligand-Target Pair
MAP kinase p38 (Mus musculus (mouse))	BDBM50421131 (CHEMBL2088581) Show SMILES Fc1ccc(Oc2ccc3c(-c4cc(ccc4F)C(=O)N4CCCC4)c(=O)ccn3n2)c(F)c1 |(31.97,-26.04,;31.96,-24.5,;30.62,-23.73,;30.62,-22.19,;31.95,-21.42,;31.94,-19.88,;30.61,-19.12,;30.6,-17.58,;29.27,-16.82,;27.96,-17.59,;26.63,-16.82,;26.62,-15.29,;27.96,-14.52,;27.95,-12.97,;26.62,-12.2,;25.29,-12.97,;25.29,-14.52,;23.95,-15.29,;29.29,-12.19,;29.28,-10.65,;30.62,-12.96,;30.8,-14.49,;32.3,-14.8,;33.07,-13.46,;32.03,-12.32,;25.29,-17.59,;23.96,-16.82,;25.29,-19.13,;26.62,-19.9,;27.96,-19.12,;29.28,-19.88,;33.28,-22.18,;34.61,-21.4,;33.29,-23.71,)| Show InChI InChI=1S/C25H18F3N3O3/c26-16-4-7-22(19(28)14-16)34-23-8-6-20-24(21(32)9-12-31(20)29-23)17-13-15(3-5-18(17)27)25(33)30-10-1-2-11-30/h3-9,12-14H,1-2,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay				Bioorg Med Chem Lett 22: 5979-83 (2012) Article DOI: 10.1016/j.bmcl.2012.07.035 BindingDB Entry DOI: 10.7270/Q28P61S0
					More data for this Ligand-Target Pair