BDBM50351200 CHEMBL1818376

SMILES: CCN1CCN(CC1)C(=O)CC[N+]([O-])=O

InChI Key: InChIKey=CROSWBVCHXQHNT-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 = 50351200   

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
Isocitrate lyase (ICL) (Mycobacterium tuberculosis)	BDBM50351200 (CHEMBL1818376) Show SMILES CCN1CCN(CC1)C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C9H17N3O3/c1-2-10-5-7-11(8-6-10)9(13)3-4-12(14)15/h2-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair