BDBM50079472 CHEMBL3417197

SMILES: COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O

InChI Key: InChIKey=NRKJPTFVGVSLQX-UHFFFAOYSA-N

Data: 2 KI

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 = 50079472   

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-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50079472 (CHEMBL3417197) Show SMILES COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O Show InChI InChI=1S/C18H20N4O4S/c1-10-7-12(17(23)22(8-10)5-6-25-3)21-15-13-11(2)14(18(24)26-4)27-16(13)20-9-19-15/h7-9H,5-6H2,1-4H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay				Eur J Med Chem 95: 116-26 (2015) Article DOI: 10.1016/j.ejmech.2015.03.032 BindingDB Entry DOI: 10.7270/Q28917K3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50079472 (CHEMBL3417197) Show SMILES COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O Show InChI InChI=1S/C18H20N4O4S/c1-10-7-12(17(23)22(8-10)5-6-25-3)21-15-13-11(2)14(18(24)26-4)27-16(13)20-9-19-15/h7-9H,5-6H2,1-4H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay				Eur J Med Chem 95: 116-26 (2015) Article DOI: 10.1016/j.ejmech.2015.03.032 BindingDB Entry DOI: 10.7270/Q28917K3
					More data for this Ligand-Target Pair