BDBM50129575 2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone::CHEMBL312892

SMILES: O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O

InChI Key: InChIKey=QMYWIHTZQCCLAU-UHFFFAOYSA-N

Data: 1 KI  9 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 10 hits for monomerid = 50129575   

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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cdc25B phosphatase was determined using mFP as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant E474Q of Cdc25B phosphatase was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant F475A of Cdc25B phosphatase was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant R482L of Cdc25B phosphatase was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant WT of Cdc25B phosphatase was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against Cdc25B phosphatase was determined using CDK2-p-TpY/Cyclin A as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Cdc25C (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against truncated mutant of Cdc25B phosphatase was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair