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BDBM50411474 CHEMBL1162035

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(F)cc2O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=VXKIOONZFRMEPK-UCQOUBKUNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411474   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
2,3-dihydroxybenzoate-AMP ligase


(Mycobacterium tuberculosis)
BDBM50411474
PNG
(CHEMBL1162035)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(F)cc2O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C17H17FN6O8S/c18-7-1-2-8(9(25)3-7)16(28)23-33(29,30)31-4-10-12(26)13(27)17(32-10)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,10,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t10-,12-,13-,17-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP/PPi exchange assay


J Med Chem 50: 6080-94 (2007)


Article DOI: 10.1021/jm070905o
BindingDB Entry DOI: 10.7270/Q298887N
More data for this
Ligand-Target Pair