BDBM50131490 CHEMBL3634884

SMILES: Cc1ncc2c(N)c(C#N)c(N)nc2n1

InChI Key: InChIKey=IOPCGJLPSXSZJB-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 = 50131490   

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)	BDBM50131490 (CHEMBL3634884) Show SMILES Cc1ncc2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C9H8N6/c1-4-13-3-6-7(11)5(2-10)8(12)15-9(6)14-4/h3H,1H3,(H4,11,12,13,14,15)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	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