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SMILES: COc1cc(C)ccc1C(C)C

InChI Key: InChIKey=LSQXNMXDFRRDSJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 248170   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Secreted chorismate mutase (Mycobacterium tuberculosis H37Rv)	BDBM248170 (Thymol derivative, 21) Show SMILES COc1cc(C)ccc1C(C)C Show InChI InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	7.5	37
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