BDBM50088360 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one::2,3,4,6-tetrahydroxy-5H-benzocycloheptene-5-one::2,3,4,6-tetrahydroxybenzocyclohepten-5-one::CHEMBL66953::Hit compound, 2::Purpurogallin::purpurogalline

SMILES: c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O

InChI Key: InChIKey=WDGFFVCWBZVLCE-UHFFFAOYSA-N

Data: 9 IC50

PDB links: 4 PDB IDs match this monomer.

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 10 hits for monomerid = 50088360   

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
Cyclin-dependent kinase 2 (Human)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-synuclein (Human)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (Human)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (Human)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (Human)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Platelet-derived growth factor receptor alpha/beta (Mouse)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Bcl-2-like protein 1 (Human)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Human)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Indoleamine 2,3-dioxygenase 1 (Human)	BDBM50088360 (Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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