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BDBM50443540 CHEMBL1688937

SMILES: Oc1ccc(cc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(O)c1

InChI Key: InChIKey=OQSOTSIYXPYTRE-GNTOHDJUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443540   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50443540
PNG
(CHEMBL1688937)
Show SMILES Oc1ccc(cc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H18O6/c19-13-3-1-9(5-15(13)21)17-11-7-24-18(12(11)8-23-17)10-2-4-14(20)16(22)6-10/h1-6,11-12,17-22H,7-8H2/t11-,12-,17-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.19E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) assessed as p-nitrophenol release from pNPP substrate after 30 mins by spectrophotometry


J Nat Prod 76: 2080-7 (2013)


Article DOI: 10.1021/np400533h
BindingDB Entry DOI: 10.7270/Q23J3FFD
More data for this
Ligand-Target Pair