BDBM50497756 CHEMBL3310302

SMILES: Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(C)cc1

InChI Key: InChIKey=JIPSEHIDTVXDJD-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 = 50497756   

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...)	BDBM50497756 (CHEMBL3310302) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C17H16N4O2/c1-11-6-8-13(9-7-11)16(22)19-20-17(23)15-12(2)18-14-5-3-4-10-21(14)15/h3-10H,1-2H3,(H,19,22)(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.35E+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