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PubMed code 26965864

Compile data set for download or QSAR
Found 5 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))
BDBM50155759
PNG
(CHEMBL3781453)
Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)CCO)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r|
Show InChI InChI=1S/C20H36N2O2/c1-14(10-13-23)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)22-18(21)24/h14,16-17,23H,2,5-13H2,1,3-4H3,(H3,21,22,24)/t14-,16-,17+,19+,20-/m0/s1
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Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



University of Lucknow

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay


Bioorg Med Chem Lett 26: 1988-92 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.003
BindingDB Entry DOI: 10.7270/Q2514147
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50155760
PNG
(CHEMBL3780639)
Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)CNC(N)=O)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r|
Show InChI InChI=1S/C20H36N4O2/c1-13(12-23-17(21)25)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)24-18(22)26/h13,15-16H,2,5-12H2,1,3-4H3,(H3,21,23,25)(H3,22,24,26)/t13-,15-,16+,19+,20-/m0/s1
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Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



University of Lucknow

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay


Bioorg Med Chem Lett 26: 1988-92 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.003
BindingDB Entry DOI: 10.7270/Q2514147
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50155761
PNG
(CHEMBL3782051)
Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)C\C=N\OC(C)=O)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r|
Show InChI InChI=1S/C22H37N3O3/c1-15(11-14-24-28-17(3)26)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)25-20(23)27/h14-15,18-19H,2,6-13H2,1,3-5H3,(H3,23,25,27)/b24-14+/t15-,18-,19+,21+,22-/m0/s1
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Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Lucknow

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay


Bioorg Med Chem Lett 26: 1988-92 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.003
BindingDB Entry DOI: 10.7270/Q2514147
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50155762
PNG
(CHEMBL3781672)
Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)C\C=N\O)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r|
Show InChI InChI=1S/C20H35N3O2/c1-14(10-13-22-25)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)23-18(21)24/h13-14,16-17,25H,2,5-12H2,1,3-4H3,(H3,21,23,24)/b22-13+/t14-,16-,17+,19+,20-/m0/s1
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Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



University of Lucknow

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay


Bioorg Med Chem Lett 26: 1988-92 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.003
BindingDB Entry DOI: 10.7270/Q2514147
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50155758
PNG
(Imbricatolic Acid)
Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)CCO)[C@@]1(C)CCC[C@]2(C)C(O)=O |r|
Show InChI InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1
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Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



University of Lucknow

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay


Bioorg Med Chem Lett 26: 1988-92 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.003
BindingDB Entry DOI: 10.7270/Q2514147
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%