BDBM50497752 CHEMBL3310308

SMILES: COc1ccc(\C=N\NC(=O)c2c(C)nc3ccccn23)cc1

InChI Key: InChIKey=RAFFUWXAZKHSRT-WOJGMQOQSA-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 = 50497752   

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...)	BDBM50497752 (CHEMBL3310308) Show SMILES COc1ccc(\C=N\NC(=O)c2c(C)nc3ccccn23)cc1 Show InChI InChI=1S/C17H16N4O2/c1-12-16(21-10-4-3-5-15(21)19-12)17(22)20-18-11-13-6-8-14(23-2)9-7-13/h3-11H,1-2H3,(H,20,22)/b18-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.37E+3	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