BDBM50421125 CHEMBL2088586

SMILES: Fc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ccn3n2)c(F)c1

InChI Key: InChIKey=SOVZJLPDHNBNIT-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50421125   

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 (Mus musculus (mouse))	BDBM50421125 (CHEMBL2088586) Show SMILES Fc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ccn3n2)c(F)c1 |(-3.31,-9.21,;-3.32,-7.66,;-4.65,-6.9,;-4.66,-5.36,;-3.32,-4.59,;-3.33,-3.04,;-4.67,-2.28,;-4.68,-.74,;-6,.02,;-7.32,-.75,;-8.65,.01,;-8.66,1.55,;-9.99,2.32,;-11.34,1.55,;-9.99,3.87,;-8.66,4.64,;-7.32,3.88,;-7.32,2.32,;-5.98,1.56,;-9.99,-.75,;-11.33,.02,;-9.99,-2.29,;-8.66,-3.07,;-7.32,-2.28,;-5.99,-3.05,;-1.99,-5.34,;-.66,-4.56,;-1.98,-6.88,)| Show InChI InChI=1S/C20H10F4N2O2/c21-11-4-6-17(14(24)10-11)28-18-7-5-15-20(16(27)8-9-26(15)25-18)19-12(22)2-1-3-13(19)23/h1-10H	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	4.70	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
Pregnane X receptor (Homo sapiens (Human))	BDBM50421125 (CHEMBL2088586) Show SMILES Fc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ccn3n2)c(F)c1 |(-3.31,-9.21,;-3.32,-7.66,;-4.65,-6.9,;-4.66,-5.36,;-3.32,-4.59,;-3.33,-3.04,;-4.67,-2.28,;-4.68,-.74,;-6,.02,;-7.32,-.75,;-8.65,.01,;-8.66,1.55,;-9.99,2.32,;-11.34,1.55,;-9.99,3.87,;-8.66,4.64,;-7.32,3.88,;-7.32,2.32,;-5.98,1.56,;-9.99,-.75,;-11.33,.02,;-9.99,-2.29,;-8.66,-3.07,;-7.32,-2.28,;-5.99,-3.05,;-1.99,-5.34,;-.66,-4.56,;-1.98,-6.88,)| Show InChI InChI=1S/C20H10F4N2O2/c21-11-4-6-17(14(24)10-11)28-18-7-5-15-20(16(27)8-9-26(15)25-18)19-12(22)2-1-3-13(19)23/h1-10H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activation of PXR				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 beta (Mus musculus (mouse))	BDBM50421125 (CHEMBL2088586) Show SMILES Fc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ccn3n2)c(F)c1 |(-3.31,-9.21,;-3.32,-7.66,;-4.65,-6.9,;-4.66,-5.36,;-3.32,-4.59,;-3.33,-3.04,;-4.67,-2.28,;-4.68,-.74,;-6,.02,;-7.32,-.75,;-8.65,.01,;-8.66,1.55,;-9.99,2.32,;-11.34,1.55,;-9.99,3.87,;-8.66,4.64,;-7.32,3.88,;-7.32,2.32,;-5.98,1.56,;-9.99,-.75,;-11.33,.02,;-9.99,-2.29,;-8.66,-3.07,;-7.32,-2.28,;-5.99,-3.05,;-1.99,-5.34,;-.66,-4.56,;-1.98,-6.88,)| Show InChI InChI=1S/C20H10F4N2O2/c21-11-4-6-17(14(24)10-11)28-18-7-5-15-20(16(27)8-9-26(15)25-18)19-12(22)2-1-3-13(19)23/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	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