BDBM50421139 CHEMBL2088590

SMILES: COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)C(=O)NC1CC1

InChI Key: InChIKey=FJLNLQWFMTXPFQ-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 = 50421139   

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))	BDBM50421139 (CHEMBL2088590) Show SMILES COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)C(=O)NC1CC1 |(18.95,-46.3,;20.28,-47.07,;21.62,-46.31,;21.62,-44.76,;22.95,-43.99,;24.28,-44.75,;24.29,-46.3,;22.95,-47.08,;22.95,-48.61,;24.28,-49.38,;25.6,-48.61,;26.93,-49.36,;26.94,-50.9,;28.27,-51.67,;28.28,-53.21,;26.94,-53.98,;26.95,-55.52,;28.29,-56.29,;28.3,-57.83,;29.62,-55.5,;29.61,-53.97,;30.94,-53.19,;25.61,-51.67,;24.29,-50.91,;22.95,-51.69,;21.62,-50.92,;21.62,-49.38,;20.29,-48.61,;25.61,-43.98,;25.61,-42.44,;26.95,-44.74,;28.28,-43.97,;29.82,-43.96,;29.04,-42.63,)| Show InChI InChI=1S/C25H19F2N3O4/c1-33-21-7-2-14(25(32)28-16-4-5-16)12-17(21)24-19-6-9-23(29-30(19)11-10-20(24)31)34-22-8-3-15(26)13-18(22)27/h2-3,6-13,16H,4-5H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	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))	BDBM50421139 (CHEMBL2088590) Show SMILES COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)C(=O)NC1CC1 |(18.95,-46.3,;20.28,-47.07,;21.62,-46.31,;21.62,-44.76,;22.95,-43.99,;24.28,-44.75,;24.29,-46.3,;22.95,-47.08,;22.95,-48.61,;24.28,-49.38,;25.6,-48.61,;26.93,-49.36,;26.94,-50.9,;28.27,-51.67,;28.28,-53.21,;26.94,-53.98,;26.95,-55.52,;28.29,-56.29,;28.3,-57.83,;29.62,-55.5,;29.61,-53.97,;30.94,-53.19,;25.61,-51.67,;24.29,-50.91,;22.95,-51.69,;21.62,-50.92,;21.62,-49.38,;20.29,-48.61,;25.61,-43.98,;25.61,-42.44,;26.95,-44.74,;28.28,-43.97,;29.82,-43.96,;29.04,-42.63,)| Show InChI InChI=1S/C25H19F2N3O4/c1-33-21-7-2-14(25(32)28-16-4-5-16)12-17(21)24-19-6-9-23(29-30(19)11-10-20(24)31)34-22-8-3-15(26)13-18(22)27/h2-3,6-13,16H,4-5H2,1H3,(H,28,32)	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	1.60	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