Reaction Details Report a problem with these data
Target
M-phase inducer phosphatase 1
Ligand
BDBM50068033
Substrate
n/a
Meas. Tech.
ChEMBL_49008 (CHEMBL662888)
IC50
29000±n/a nM
Citation
 Peng, H; Xie, W; Otterness, DM; Cogswell, JP; McConnell, RT; Carter, HL; Powis, G; Abraham, RT; Zalkow, LH Syntheses and biological activities of a novel group of steroidal derived inhibitors for human Cdc25A protein phosphatase. J Med Chem 44:834-48 (2001) [PubMed]  Article 
Target
Name:
M-phase inducer phosphatase 1
Synonyms:
CDC25A | Dual specificity phosphatase (Cdc25A) | Dual specificity phosphatase Cdc25A | M-phase inducer phosphatase 1 | MPIP1_HUMAN | phosphatase Cdc25
Type:
Protein
Mol. Mass.:
59090.18
Organism:
Homo sapiens (Human)
Description:
P30304
Residue:
524
Sequence:
MELGPEPPHRRRLLFACSPPPASQPVVKALFGASAAGGLSPVTNLTVTMDQLQGLGSDYEQPLEVKNNSNLQRMGSSESTDSGFCLDSPGPLDSKENLENPMRRIHSLPQKLLGCSPALKRSHSDSLDHDIFQLIDPDENKENEAFEFKKPVRPVSRGCLHSHGLQEGKDLFTQRQNSAPARMLSSNERDSSEPGNFIPLFTPQSPVTATLSDEDDGFVDLLDGENLKNEEETPSCMASLWTAPLVMRTTNLDNRCKLFDSPSLCSSSTRSVLKRPERSQEESPPGSTKRRKSMSGASPKESTNPEKAHETLHQSLSLASSPKGTIENILDNDPRDLIGDFSKGYLFHTVAGKHQDLKYISPEIMASVLNGKFANLIKEFVIIDCRYPYEYEGGHIKGAVNLHMEEEVEDFLLKKPIVPTDGKRVIVVFHCEFSSERGPRMCRYVRERDRLGNEYPKLHYPELYVLKGGYKEFFMKCQSYCEPPSYRPMHHEDFKEDLKKFRTKSRTWAGEKSKREMYSRLKKL
  
Inhibitor
Name:
BDBM50068033
Synonyms:
(Z)-5-[(3R,3aR,5aS,6R,9aS,9bS)-3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dodecahydro-7-oxa-cyclopenta[a]naphthalen-6-yl]-pent-2-enenitrile | 5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dodecahydro-7-oxa-cyclopenta[a]naphthalen-6-yl]-pent-2-enenitrile | CHEMBL143666
Type:
Small organic molecule
Emp. Form.:
C27H43NO2
Mol. Mass.:
413.6358
SMILES:
CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CC\C=C/C#N)[C@H]3CC[C@]12C
Structure:
Search PDB for entries with ligand similarity: