BDBM50494245 CHEMBL3087484

SMILES: OC[C@H](O)CCOc1ccc2c(COc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1

InChI Key: InChIKey=IGEIZXSGPWMAKF-QGZVFWFLSA-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 = 50494245   

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))	BDBM50494245 (CHEMBL3087484) Show SMILES OC[C@H](O)CCOc1ccc2c(COc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1 |r| Show InChI InChI=1S/C24H21F2NO5/c25-15-1-6-22(21(26)10-15)27-16-2-4-20-23(11-16)32-13-14-9-18(3-5-19(14)24(20)30)31-8-7-17(29)12-28/h1-6,9-11,17,27-29H,7-8,12-13H2/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase in human whole blood assessed as inhibition of LPS-induced TNFalpha release by ELISA				J Med Chem 56: 8561-78 (2013) Article DOI: 10.1021/jm401276h BindingDB Entry DOI: 10.7270/Q2Q81H2C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50494245 (CHEMBL3087484) Show SMILES OC[C@H](O)CCOc1ccc2c(COc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1 |r| Show InChI InChI=1S/C24H21F2NO5/c25-15-1-6-22(21(26)10-15)27-16-2-4-20-23(11-16)32-13-14-9-18(3-5-19(14)24(20)30)31-8-7-17(29)12-28/h1-6,9-11,17,27-29H,7-8,12-13H2/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Competitive inhibition of p38alpha MAP kinase (unknown origin) in presence of 100 uM ATP				J Med Chem 56: 8561-78 (2013) Article DOI: 10.1021/jm401276h BindingDB Entry DOI: 10.7270/Q2Q81H2C
					More data for this Ligand-Target Pair