Reaction Details Report a problem with these data
Target
M-phase inducer phosphatase 3
Ligand
BDBM50129576
Substrate
n/a
Meas. Tech.
ChEMBL_49190 (CHEMBL662118)
IC50
3500±n/a nM
Citation
 Sohn, J; Kiburz, B; Li, Z; Deng, L; Safi, A; Pirrung, MC; Rudolph, J Inhibition of Cdc25 phosphatases by indolyldihydroxyquinones. J Med Chem 46:2580-8 (2003) [PubMed]  Article 
Target
Name:
M-phase inducer phosphatase 3
Synonyms:
CDC25C | Dual specificity phosphatase Cdc25C | M-phase inducer phosphatase 3 | MPIP3_HUMAN
Type:
Substrate
Mol. Mass.:
53366.11
Organism:
Homo sapiens (Human)
Description:
P30307
Residue:
473
Sequence:
MSTELFSSTREEGSSGSGPSFRSNQRKMLNLLLERDTSFTVCPDVPRTPVGKFLGDSANLSILSGGTPKRCLDLSNLSSGEITATQLTTSADLDETGHLDSSGLQEVHLAGMNHDQHLMKCSPAQLLCSTPNGLDRGHRKRDAMCSSSANKENDNGNLVDSEMKYLGSPITTVPKLDKNPNLGEDQAEEISDELMEFSLKDQEAKVSRSGLYRSPSMPENLNRPRLKQVEKFKDNTIPDKVKKKYFSGQGKLRKGLCLKKTVSLCDITITQMLEEDSNQGHLIGDFSKVCALPTVSGKHQDLKYVNPETVAALLSGKFQGLIEKFYVIDCRYPYEYLGGHIQGALNLYSQEELFNFFLKKPIVPLDTQKRIIIVFHCEFSSERGPRMCRCLREEDRSLNQYPALYYPELYILKGGYRDFFPEYMELCEPQSYCPMHHQDHKTELLRCRSQSKVQEGERQLREQIALLVKDMSP
  
Inhibitor
Name:
BDBM50129576
Synonyms:
2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10-trienyl)-1H-indol-3-yl]-[1,4]benzoquinone | CHEMBL314400
Type:
Small organic molecule
Emp. Form.:
C29H33NO4
Mol. Mass.:
459.5766
SMILES:
CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)|
Structure:
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