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SMILES: COc1ccc(COC(=O)C2=C(C)N=C3CC(CC(=O)C3C2c2cccs2)c2cccs2)cc1

InChI Key: InChIKey=LVJKPMXIISWWAP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25318   
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
ATP phosphoribosyltransferase


(Mycobacterium tuberculosis)		BDBM25318
PNG
((4-methoxyphenyl)methyl 2-methyl-5-oxo-4,7-bis(thi...)
Show SMILES COc1ccc(COC(=O)C2=C(C)N=C3CC(CC(=O)C3C2c2cccs2)c2cccs2)cc1 |c:10,t:13|
Show InChI InChI=1S/C27H25NO4S2/c1-16-24(27(30)32-15-17-7-9-19(31-2)10-8-17)26(23-6-4-12-34-23)25-20(28-16)13-18(14-21(25)29)22-5-3-11-33-22/h3-12,18,25-26H,13-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/a8.522



Yale University



Assay Description
Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...

J Med Chem 51: 5984-92 (2008)


Article DOI: 10.1021/jm800328v
BindingDB Entry DOI: 10.7270/Q2V986CX
More data for this
Ligand-Target Pair