BDBM50139004 CHEMBL3752694

SMILES: COc1cc2nc(NC(=O)c3csc(COc4ccc(F)cc4)n3)sc2cc1OC

InChI Key: InChIKey=PCKXVDUIUFNAJD-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 = 50139004   

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 1 (Homo sapiens (Human))	BDBM50139004 (CHEMBL3752694) Show SMILES COc1cc2nc(NC(=O)c3csc(COc4ccc(F)cc4)n3)sc2cc1OC Show InChI InChI=1S/C20H16FN3O4S2/c1-26-15-7-13-17(8-16(15)27-2)30-20(23-13)24-19(25)14-10-29-18(22-14)9-28-12-5-3-11(21)4-6-12/h3-8,10H,9H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) by ELISA				Bioorg Med Chem Lett 26: 955-8 (2016) BindingDB Entry DOI: 10.7270/Q24J0GZQ
					More data for this Ligand-Target Pair