BDBM50124905 CHEMBL3623770

SMILES: COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C

InChI Key: InChIKey=BSKMIMMIUZSPKF-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 = 50124905   

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
SET domain-containing protein 7/9 (Set7/9) (Homo sapiens (Human))	BDBM50124905 (CHEMBL3623770) Show SMILES COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C Show InChI InChI=1S/C14H13N3O5S/c1-7-10(14(19)22-2)12(15)23-11(7)13(18)16-8-4-3-5-9(6-8)17(20)21/h3-6H,15H2,1-2H3,(H,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University Curated by ChEMBL					Assay Description Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM				J Med Chem 58: 8166-81 (2015) BindingDB Entry DOI: 10.7270/Q2TF005S
					More data for this Ligand-Target Pair