Ki Summary

Reaction Details

Report a problem with these data

Target

Tyrosine-protein phosphatase non-receptor type 1

Ligand

BDBM50131838

Substrate

n/a

Meas. Tech.

ChEMBL_1526439 (CHEMBL3637708)

4100000±n/a nM

Citation

Haftchenary, S; Jouk, AO; Aubry, I; Lewis, AM; Landry, M; Ball, DP; Shouksmith, AE; Collins, CV; Tremblay, ML; Gunning, PT Identification of Bidentate Salicylic Acid Inhibitors of PTP1B. ACS Med Chem Lett 6:982-6 (2015) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Tyrosine-protein phosphatase non-receptor type 1

Synonyms:

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:

BDBM50131838

Synonyms:

CHEMBL3633140

Type:

Small organic molecule

Emp. Form.:

C20H29N5O5S

Mol. Mass.:

451.54

SMILES:

CC(=O)NCCCSCCNC(=O)[C@@H]1CC[C@@H](CC1)NC(=O)c1nccnc1C(O)=O |r,wU:16.19,13.12,(-13.59,-15.26,;-14.66,-14.64,;-15.72,-15.26,;-14.66,-13.1,;-13.33,-12.33,;-13.33,-10.79,;-12,-10.01,;-12,-8.47,;-10.67,-7.7,;-10.67,-6.16,;-9.34,-5.39,;-9.34,-3.85,;-10.41,-3.23,;-8.01,-3.07,;-6.67,-3.84,;-5.34,-3.07,;-5.34,-1.53,;-6.67,-.76,;-8.01,-1.53,;-4,-.77,;-2.67,-1.54,;-2.67,-2.77,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;-1.06,-3.7,;1.07,-3.7,)|

Structure: