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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1B' and Ligand = 'BDBM14258'   
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))
BDBM14258
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H13BrN2O6S/c20-14-15(28-9-13(23)24)17(19(26)27)29-16(14)10-3-5-12(6-4-10)22-18(25)11-2-1-7-21-8-11/h1-8H,9H2,(H,22,25)(H,23,24)(H,26,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN1


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM14258
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H13BrN2O6S/c20-14-15(28-9-13(23)24)17(19(26)27)29-16(14)10-3-5-12(6-4-10)22-18(25)11-2-1-7-21-8-11/h1-8H,9H2,(H,22,25)(H,23,24)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem 16: 7399-409 (2008)


Article DOI: 10.1016/j.bmc.2008.06.014
BindingDB Entry DOI: 10.7270/Q2PC325T
More data for this
Ligand-Target Pair