BDBM50131413 CHEMBL3632795

SMILES: COCc1csc(n1)-c1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C

InChI Key: InChIKey=BRFUDSYCUZOCFU-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 = 50131413   

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
DNA ligase (Staphylococcus aureus)	BDBM50131413 (CHEMBL3632795) Show SMILES COCc1csc(n1)-c1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C17H19N7OS/c1-17(2,3)16-22-12(15-21-8(6-25-4)7-26-15)10-11(19)9(5-18)13(20)23-14(10)24-16/h7H,6H2,1-4H3,(H4,19,20,22,23,24)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase				Bioorg Med Chem Lett 25: 5172-7 (2015) BindingDB Entry DOI: 10.7270/Q2KD20RN
					More data for this Ligand-Target Pair