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PubMed code 25595683

Compile data set for download or QSAR
Found 3 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))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 904-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.058
BindingDB Entry DOI: 10.7270/Q29W0H5T
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50061005
PNG
(CHEMBL3393517)
Show SMILES CC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@@H]4C)[C@@]3(C)[C@H](O)C[C@H]21
Show InChI InChI=1S/C27H42O3/c1-7-27-13-8-12-24(3,4)18(27)11-14-25(5)19-10-9-17-16(2)30-23(29)22(17)26(19,6)21(28)15-20(25)27/h16,18-21,28H,7-15H2,1-6H3/t16-,18+,19+,20+,21-,25+,26-,27+/m1/s1
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Article
PubMed
n/an/a 7.45E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 904-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.058
BindingDB Entry DOI: 10.7270/Q29W0H5T
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50061004
PNG
(CHEMBL3393519)
Show SMILES CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@@H]4C)[C@@]3(C)[C@H](O)C[C@H]21
Show InChI InChI=1S/C27H42O3/c1-7-24(3)12-8-13-25(4)18(24)11-14-26(5)19-10-9-17-16(2)30-23(29)22(17)27(19,6)21(28)15-20(25)26/h16,18-21,28H,7-15H2,1-6H3/t16-,18+,19+,20-,21-,24+,25+,26+,27-/m1/s1
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PC cid
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Article
PubMed
n/an/a 7.47E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 904-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.058
BindingDB Entry DOI: 10.7270/Q29W0H5T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%