BDBM50305701 CHEMBL593218::methyl 3-(6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoate hydrochloride

SMILES: COC(=O)c1cccc(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12

InChI Key: InChIKey=CRZMNQPMOPBAMT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50305701   

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))	BDBM50305701 (CHEMBL593218 | methyl 3-(6-(2,4-difluorophenylthio...) Show SMILES COC(=O)c1cccc(c1)-c1nnc2ccc(Sc3ccc(F)cc3F)cn12 Show InChI InChI=1S/C20H13F2N3O2S/c1-27-20(26)13-4-2-3-12(9-13)19-24-23-18-8-6-15(11-25(18)19)28-17-7-5-14(21)10-16(17)22/h2-11H,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	181	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of p38 alpha				Bioorg Med Chem Lett 20: 469-73 (2010) Article DOI: 10.1016/j.bmcl.2009.11.114 BindingDB Entry DOI: 10.7270/Q2G160XP
					More data for this Ligand-Target Pair