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PubMed code 17949055

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50225276
PNG
(6-(3,3'-dihydroxy-4'-sulfooxy-biphenyl-4-yloxy)-2,...)
Show SMILES OC(=O)c1cc2oc3c(Oc4ccc(cc4O)-c4ccc(OS(O)(=O)=O)c(O)c4)cc(O)cc3c2cc1O
Show InChI InChI=1S/C25H16O12S/c26-13-7-15-14-9-17(27)16(25(30)31)10-22(14)36-24(15)23(8-13)35-20-3-1-11(5-18(20)28)12-2-4-21(19(29)6-12)37-38(32,33)34/h1-10,26-29H,(H,30,31)(H,32,33,34)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Nat Prod 70: 1790-2 (2007)


Article DOI: 10.1021/np070225o
BindingDB Entry DOI: 10.7270/Q2DZ081R
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50225277
PNG
(2,8-dihydroxy-6-(3,3',4'-trihydroxy-biphenyl-4-ylo...)
Show SMILES OC(=O)c1cc2oc3c(Oc4ccc(cc4O)-c4ccc(O)c(O)c4)cc(O)cc3c2cc1O
Show InChI InChI=1S/C25H16O9/c26-13-7-15-14-9-18(28)16(25(31)32)10-22(14)34-24(15)23(8-13)33-21-4-2-12(6-20(21)30)11-1-3-17(27)19(29)5-11/h1-10,26-30H,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.71E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Nat Prod 70: 1790-2 (2007)


Article DOI: 10.1021/np070225o
BindingDB Entry DOI: 10.7270/Q2DZ081R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%