BDBM50131483 CHEMBL3632788

SMILES: CC(C)(C)c1nc(-c2ncc[nH]2)c2c(N)c(C#N)c(N)nc2n1

InChI Key: InChIKey=YNZDLZFZFPOIBQ-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 = 50131483   

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)	BDBM50131483 (CHEMBL3632788) Show SMILES CC(C)(C)c1nc(-c2ncc[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H16N8/c1-15(2,3)14-21-10(13-19-4-5-20-13)8-9(17)7(6-16)11(18)22-12(8)23-14/h4-5H,1-3H3,(H,19,20)(H4,17,18,21,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	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