BDBM50129580 3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3-yl]-2,5-dihydroxy-[1,4]benzoquinone::CHEMBL86333

SMILES: CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O

InChI Key: InChIKey=CDXBTSVSAFXYPA-UHFFFAOYSA-N

Data: 1 KI  4 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 = 50129580   

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))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	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 Cell division cycle 25B 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))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against Cell division cycle 25B 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
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	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))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	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	2.30E+3	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
Cdc25C (Homo sapiens (Human))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	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