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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate lyase' and Ligand = 'BDBM50351205'   
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)		BDBM50351205
PNG
(CHEMBL1818382)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN(CC3C)C(=O)CC[N+]([O-])=O)c(F)c12
Show InChI InChI=1S/C20H22F2N4O6/c1-3-23-10-13(20(29)30)19(28)12-8-14(21)18(16(22)17(12)23)25-7-6-24(9-11(25)2)15(27)4-5-26(31)32/h8,10-11H,3-7,9H2,1-2H3,(H,29,30)
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Similars
Article
PubMed
n/an/a 1.46E+3n/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