Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50181025
Substrate
n/a
Meas. Tech.
ChEMBL_345891 (CHEMBL860852)
IC50
9050±n/a nM
Citation
 Huang, W; Li, J; Zhang, W; Zhou, Y; Xie, C; Luo, Y; Li, Y; Wang, J; Li, J; Lu, W Synthesis of miltirone analogues as inhibitors of Cdc25 phosphatases. Bioorg Med Chem Lett 16:1905-8 (2006) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1
Synonyms:
PTN1_HUMAN | PTP1B | PTPN1 | Protein tyrosine phosphatase 1B (PTP1B) | Protein tyrosine phosphatase-1B (PTP1B) | Protein-tyrosine phosphatase 1B | Protein-tyrosine phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase non-receptor type 1 | Tyrosine-protein phosphatase non-receptor type 1 (PTP1B)
Type:
Protein phosphatase
Mol. Mass.:
49963.76
Organism:
Homo sapiens (Human)
Description:
Human recombinant GST-fusion PTP1B (1-435).
Residue:
435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT
  
Inhibitor
Name:
BDBM50181025
Synonyms:
CHEMBL208488 | N-(4-(2-isopropyl-8,8-dimethyl-3,4-dioxo-3,4,5,6,7,8-hexahydrophenanthren-1-ylthio)phenyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C27H29NO3S
Mol. Mass.:
447.589
SMILES:
CC(C)C1=C(Sc2ccc(NC(C)=O)cc2)c2ccc3c(CCCC3(C)C)c2C(=O)C1=O |c:3|
Structure:
Search PDB for entries with ligand similarity: