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BDBM50412363 CHEMBL611771

SMILES: Nc1nc(Nc2ccccc2)nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O

InChI Key: InChIKey=KTWHNZSXOQKUKB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412363   
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)		BDBM50412363
PNG
(CHEMBL611771)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
Show InChI InChI=1S/C23H23N7O8S/c24-19-16-20(28-23(27-19)26-12-6-2-1-3-7-12)30(11-25-16)22-18(33)17(32)15(38-22)10-37-39(35,36)29-21(34)13-8-4-5-9-14(13)31/h1-9,11,15,17-18,22,31-33H,10H2,(H,29,34)(H3,24,26,27,28)
KEGG

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Similars
Article
PubMed
 0.940n/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 51: 5349-70 (2008)


Article DOI: 10.1021/jm800567v
BindingDB Entry DOI: 10.7270/Q2BZ66X7
More data for this
Ligand-Target Pair