BDBM50131401 CHEMBL3632791

SMILES: CC(C)(C)c1nc(-c2cnn[nH]2)c2c(N)c(C#N)c(N)nc2n1

InChI Key: InChIKey=QZLWMZZSKBYEKX-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 = 50131401   

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)	BDBM50131401 (CHEMBL3632791) Show SMILES CC(C)(C)c1nc(-c2cnn[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C14H15N9/c1-14(2,3)13-19-10(7-5-18-23-22-7)8-9(16)6(4-15)11(17)20-12(8)21-13/h5H,1-3H3,(H,18,22,23)(H4,16,17,19,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	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