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SMILES: CC(C)c1ccc(C)cc1OC(C)=O

InChI Key: InChIKey=WFMIUXMJJBBOGJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 248169   
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
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM248169
PNG
(Thymol derivative, 17)
Show SMILES CC(C)c1ccc(C)cc1OC(C)=O
Show InChI InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.08E+3n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...

J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair