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PubMed code 28389151

Compile data set for download or QSAR
Found 8 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
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50092807
PNG
(CHEMBL3586411)
Show SMILES [H][C@@]12CCC=C(COC(=O)c3cc(Br)c[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\C[n+]1cn(C)c2ncnc(N)c12 |r,t:4|
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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition mea...


Bioorg Med Chem Lett 27: 2207-2209 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.033
BindingDB Entry DOI: 10.7270/Q2XP77DT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50092807
PNG
(CHEMBL3586411)
Show SMILES [H][C@@]12CCC=C(COC(=O)c3cc(Br)c[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\C[n+]1cn(C)c2ncnc(N)c12 |r,t:4|
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n/an/a 1.50E+4n/an/an/an/an/an/a



Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...


Bioorg Med Chem Lett 27: 2207-2209 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.033
BindingDB Entry DOI: 10.7270/Q2XP77DT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50092807
PNG
(CHEMBL3586411)
Show SMILES [H][C@@]12CCC=C(COC(=O)c3cc(Br)c[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\C[n+]1cn(C)c2ncnc(N)c12 |r,t:4|
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PubMed
n/an/a>1.60E+4n/an/an/an/an/an/a



Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TCPTP (1 to 317 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...


Bioorg Med Chem Lett 27: 2207-2209 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.033
BindingDB Entry DOI: 10.7270/Q2XP77DT
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50092807
PNG
(CHEMBL3586411)
Show SMILES [H][C@@]12CCC=C(COC(=O)c3cc(Br)c[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\C[n+]1cn(C)c2ncnc(N)c12 |r,t:4|
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n/an/a>1.60E+4n/an/an/an/an/an/a



Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CD45 using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 2207-2209 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.033
BindingDB Entry DOI: 10.7270/Q2XP77DT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50256931
PNG
(CHEMBL1186032)
Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4|
Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1
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PubMed
n/an/a>1.90E+4n/an/an/an/an/an/a



Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TCPTP (1 to 317 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...


Bioorg Med Chem Lett 27: 2207-2209 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.033
BindingDB Entry DOI: 10.7270/Q2XP77DT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50256931
PNG
(CHEMBL1186032)
Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4|
Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1
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PubMed
n/an/a>1.90E+4n/an/an/an/an/an/a



Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition mea...


Bioorg Med Chem Lett 27: 2207-2209 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.033
BindingDB Entry DOI: 10.7270/Q2XP77DT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50256931
PNG
(CHEMBL1186032)
Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4|
Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1
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PubMed
n/an/a>1.90E+4n/an/an/an/an/an/a



Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...


Bioorg Med Chem Lett 27: 2207-2209 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.033
BindingDB Entry DOI: 10.7270/Q2XP77DT
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50256931
PNG
(CHEMBL1186032)
Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4|
Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1
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PubMed
n/an/a>1.90E+4n/an/an/an/an/an/a



Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CD45 using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 2207-2209 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.033
BindingDB Entry DOI: 10.7270/Q2XP77DT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%