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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50047471   
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
Decaprenylphosphoryl-beta-D-ribose oxidase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50169260
PNG
(CHEMBL3805705)
Show SMILES C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc(N=[N+]=[N-])c3s2)C(F)(F)F)O1 |r|
Show InChI InChI=1S/C17H16F3N5O3S/c1-9-8-27-16(28-9)2-4-25(5-3-16)15-22-14(26)11-6-10(17(18,19)20)7-12(23-24-21)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
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Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis H37Rv DprE1 using FPR as substrate assessed as residual enzymatic activity preincubated for 10 m...

ACS Med Chem Lett 7: 266-70 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00424
BindingDB Entry DOI: 10.7270/Q2SJ1NJP
More data for this
Ligand-Target Pair