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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'shang' and Initial = 'xy'   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50204574
PNG
(3-((1E,17E)-2-(6-((E)-3,4-dihydroxystyryl)-4-hydro...)
Show SMILES Oc1ccc(\C=C\c2cc(O)c(-c3cc(O)c(O)cc3\C=C\c3cc4oc(=O)c5cc(O)c(O)cc5c4c(=O)o3)c(=O)o2)cc1O |(4.66,-26.23,;4.66,-24.69,;3.32,-23.92,;3.33,-22.38,;4.66,-21.62,;4.66,-20.08,;3.33,-19.31,;3.33,-17.77,;2,-16.99,;2,-15.46,;.67,-14.68,;3.34,-14.69,;3.34,-13.16,;4.68,-12.39,;4.68,-10.85,;6.01,-10.07,;3.33,-10.08,;3.33,-8.54,;2.01,-10.85,;2.01,-12.38,;.67,-13.15,;-.65,-12.38,;-1.99,-13.15,;-1.99,-14.69,;-3.33,-15.46,;-3.33,-17,;-4.66,-17.77,;-4.66,-19.31,;-5.99,-17,;-7.32,-17.76,;-8.65,-17,;-9.98,-17.77,;-8.65,-15.46,;-9.98,-14.7,;-7.32,-14.68,;-5.99,-15.46,;-4.67,-14.69,;-4.67,-13.14,;-6.01,-12.38,;-3.33,-12.37,;4.67,-15.46,;6,-14.68,;4.67,-16.99,;5.99,-22.38,;6,-23.91,;7.33,-24.68,)|
Show InChI InChI=1S/C33H20O13/c34-21-6-2-14(7-22(21)35)1-4-16-9-27(40)29(32(42)44-16)18-11-24(37)23(36)8-15(18)3-5-17-10-28-30(33(43)45-17)19-12-25(38)26(39)13-20(19)31(41)46-28/h1-13,34-40H/b4-1+,5-3+
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 3.00E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College (Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B


J Nat Prod 70: 296-9 (2007)


Article DOI: 10.1021/np060476h
BindingDB Entry DOI: 10.7270/Q2B27TX3
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50204572
PNG
(3-carboxyl-8,9-dihydroxypyrano[4,3-c]isochromen-4-...)
Show SMILES OC(=O)c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1
Show InChI InChI=1S/C13H6O8/c14-6-1-4-5(2-7(6)15)12(18)20-8-3-9(11(16)17)21-13(19)10(4)8/h1-3,14-15H,(H,16,17)
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>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College (Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B


J Nat Prod 70: 296-9 (2007)


Article DOI: 10.1021/np060476h
BindingDB Entry DOI: 10.7270/Q2B27TX3
More data for this
Ligand-Target Pair