BDBM50033722 (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl isobutyrate::CHEMBL9416::ISOBUTYLSHIKONIN::Isobutyric acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester

SMILES: [#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8]

InChI Key: InChIKey=JXTAIYKPGMDLGB-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50033722   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA topoisomerase 1 (Human)	BDBM50033722 (CHEMBL9416 | Isobutyric acid (R)-1-(5,8-dihydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Sterol O-acyltransferase 2 (Human)	BDBM50033722 (CHEMBL9416 | Isobutyric acid (R)-1-(5,8-dihydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
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COP9 signalosome complex subunit 5 (Human)	BDBM50033722 (CHEMBL9416 | Isobutyric acid (R)-1-(5,8-dihydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
COP9 signalosome complex subunit 5 (Human)	BDBM50033722 (CHEMBL9416 | Isobutyric acid (R)-1-(5,8-dihydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM50033722 (CHEMBL9416 | Isobutyric acid (R)-1-(5,8-dihydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair