BindingDB logo
myBDB logout

PubMed code 26711144

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
Tyrosine-protein phosphatase non-receptor type 1


(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 |r,c:10|
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...


Bioorg Med Chem Lett 26: 315-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.022
BindingDB Entry DOI: 10.7270/Q2SF2Z0K
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50135267
PNG
(CHEMBL3746974)
Show SMILES [H][C@]1([#6]-[#6]-[#6](-[#6])=[#6]-[#6]1)[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#7]-[#6](=O)-[#7][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]1([H])[#6]-[#6]-[#6](-[#6])=[#6]-[#6]1 |r,c:5,34|
Show InChI InChI=1S/C31H52N2O/c1-23(2)11-9-21-30(7,27-17-13-25(5)14-18-27)32-29(34)33-31(8,22-10-12-24(3)4)28-19-15-26(6)16-20-28/h11-13,15,27-28H,9-10,14,16-22H2,1-8H3,(H2,32,33,34)/t27-,28-,30-,31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...


Bioorg Med Chem Lett 26: 315-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.022
BindingDB Entry DOI: 10.7270/Q2SF2Z0K
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50135235
PNG
(CHEMBL457458)
Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])[C@](C)(CC[C@H]2C(C)C)N=C=S |r,t:2|
Show InChI InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...


Bioorg Med Chem Lett 26: 315-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.022
BindingDB Entry DOI: 10.7270/Q2SF2Z0K
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50135236
PNG
(CHEMBL3747131)
Show SMILES [H][C@]1([#6]-[#6]-[#6](-[#6])=[#6]-[#6]1)[C@@]([#6])([#7])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,c:5|
Show InChI InChI=1S/C15H27N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11,16H2,1-4H3/t14-,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.50E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...


Bioorg Med Chem Lett 26: 315-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.022
BindingDB Entry DOI: 10.7270/Q2SF2Z0K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%