BDBM50131495 CHEMBL3632764

SMILES: Nc1nc2nc(ncc2c(N)c1C#N)C1CCCCC1

InChI Key: InChIKey=OEWXPRMRLVUPSO-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 = 50131495   

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)	BDBM50131495 (CHEMBL3632764) Show SMILES Nc1nc2nc(ncc2c(N)c1C#N)C1CCCCC1 Show InChI InChI=1S/C14H16N6/c15-6-9-11(16)10-7-18-13(8-4-2-1-3-5-8)20-14(10)19-12(9)17/h7-8H,1-5H2,(H4,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	810	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