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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate lyase' and Ligand = 'BDBM50351200'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isocitrate lyase


(Mycobacterium tuberculosis)		BDBM50351200
PNG
(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/an/a 1.26E+4n/an/an/an/an/an/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