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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1B' and Ligand = 'BDBM50219595'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50219595
PNG
(4-bromo-3-carboxymethoxy-5-[3-(4-fluorobenzenesulf...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H13BrFNO7S2/c20-15-16(29-9-14(23)24)18(19(25)26)30-17(15)10-2-1-3-12(8-10)22-31(27,28)13-6-4-11(21)5-7-13/h1-8,22H,9H2,(H,23,24)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
440n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair