BDBM50497766 CHEMBL3212161

SMILES: Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=RGQSACIQFYMAJQ-LICLKQGHSA-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 = 50497766   

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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497766 (CHEMBL3212161) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N5O3/c1-11-15(20-9-3-2-4-14(20)18-11)16(22)19-17-10-12-5-7-13(8-6-12)21(23)24/h2-10H,1H3,(H,19,22)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair