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PubMed code 21548579

Compile data set for download or QSAR
Found 4 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))
BDBM50345577
PNG
(CHEMBL1782082 | Hippolide A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#8]-[#6@@H]-1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-[#7]-[#6]-1=O |r,t:16|
Show InChI InChI=1S/C25H37NO4/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-22(30-25(20)29)21-16-23(27)26-24(21)28/h8,10,12,14,21-22,25,29H,5-7,9,11,13,15-16H2,1-4H3,(H,26,27,28)/b18-10+,19-12+/t21-,22+,25-/m0/s1
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n/an/a 2.38E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B catalytic domain using pNPP as substrate assessed as pNP release


J Nat Prod 74: 1248-54 (2011)


Article DOI: 10.1021/np200227s
BindingDB Entry DOI: 10.7270/Q2571CCF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50345576
PNG
(CHEMBL1784622 | Hippolide B)
Show SMILES [#6]-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]-[#6]=[#6]-1-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#6]-[#6](=O)-[#7]-[#6]-1=O |r,c:6|
Show InChI InChI=1S/C26H39NO4/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21-15-16-23(31-26(21)30-5)22-17-24(28)27-25(22)29/h9,11,13,15,22-23,26H,6-8,10,12,14,16-17H2,1-5H3,(H,27,28,29)/b19-11+,20-13+/t22-,23+,26-/m0/s1
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n/an/a 3.97E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B catalytic domain using pNPP as substrate assessed as pNP release


J Nat Prod 74: 1248-54 (2011)


Article DOI: 10.1021/np200227s
BindingDB Entry DOI: 10.7270/Q2571CCF
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50345578
PNG
(CHEMBL1784623 | Hippolide E)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6@H]-1-[#8]-[#6](=O)-[#6]=[#6]-1-[#6]-[#8] |r,c:25|
Show InChI InChI=1S/C25H38O4/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-22(17-26)14-15-24-23(18-27)16-25(28)29-24/h8,10,12,14,16,24,26-27H,5-7,9,11,13,15,17-18H2,1-4H3/b20-10+,21-12+,22-14+/t24-/m1/s1
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n/an/a 4.04E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity at PKCalpha after 1 hr by luminescent kinase assay


J Nat Prod 74: 1248-54 (2011)


Article DOI: 10.1021/np200227s
BindingDB Entry DOI: 10.7270/Q2571CCF
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50345577
PNG
(CHEMBL1782082 | Hippolide A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#8]-[#6@@H]-1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-[#7]-[#6]-1=O |r,t:16|
Show InChI InChI=1S/C25H37NO4/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-22(30-25(20)29)21-16-23(27)26-24(21)28/h8,10,12,14,21-22,25,29H,5-7,9,11,13,15-16H2,1-4H3,(H,26,27,28)/b18-10+,19-12+/t21-,22+,25-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity at PKCgamma after 1 hr by luminescent kinase assay


J Nat Prod 74: 1248-54 (2011)


Article DOI: 10.1021/np200227s
BindingDB Entry DOI: 10.7270/Q2571CCF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%