Reaction Details  Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50086954
Substrate
n/a
Meas. Tech.
ChEMBL_634028 (CHEMBL1118001)
IC50
28.84±n/a nM
Citation
 Cheng, Y; Zhou, M; Tung, CH; Ji, M; Zhang, F Studies on two types of PTP1B inhibitors for the treatment of type 2 diabetes: Hologram QSAR for OBA and BBB analogues. Bioorg Med Chem Lett 20:3329-37 (2010) [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:
BDBM50086954
Synonyms:
CHEMBL278092 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)-5''-bromo-4''''-methoxy-[1,1'';3'',1'''']terphenyl-4''-yloxy]-acetic acid | [4-(2-Benzyl-benzo[b]thiophen-3-yl)-5'-bromo-4''-methoxy-[1,1':3',1'']terphenyl-4'-yloxy]-acetic acid | [4-(2-Benzyl-benzo[b]thiophen-3-yl)-5'-bromo-4''-methoxy-[1,1';3',1'']terphenyl-4'-yloxy]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C36H27BrO4S
Mol. Mass.:
635.566
SMILES:
COc1ccc(cc1)-c1cc(cc(Br)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Structure:
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