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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 = 'BDBM50320946'   
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))
BDBM50320946
PNG
((3S,20S,23S)-3-(4'-Carboxybenzoyloxy)-20,23-dihydr...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(cc2)-[#6](-[#8])=O)[#6](=O)-[#8]1 |r|
Show InChI InChI=1S/C37H50O7/c1-21(2)19-24-20-37(42,33(41)43-24)27-13-12-26-25(27)11-14-29-35(26,5)17-15-28-34(3,4)30(16-18-36(28,29)6)44-32(40)23-9-7-22(8-10-23)31(38)39/h7-10,19,24-30,42H,11-18,20H2,1-6H3,(H,38,39)/t24-,25+,26-,27+,28+,29+,30+,35+,36+,37+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP hydrolase assay


Bioorg Med Chem 18: 3934-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25
More data for this
Ligand-Target Pair