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PubMed code 25996453

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
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Article
PubMed
n/an/a 1.95E+3n/an/an/an/a6.5n/a



Jiangnan University



Assay Description
Briefly, the tested compounds were solubilized in DMSO and serially diluted into concentrations for the inhibitory test. The assays were carried out ...


Chem Biol Drug Des 86: 1161-7 (2015)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q20C4TJ1
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM167900
PNG
(Biphenyl-4,4'-diylbis((3-phenyl-1-oxa-2,8-diaz...)
Show SMILES O=C(N1CCC2(CC(=NO2)c2ccccc2)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC2(CC(=NO2)c2ccccc2)CC1 |c:7,42|
Show InChI InChI=1S/C40H38N4O4/c45-37(43-23-19-39(20-24-43)27-35(41-47-39)31-7-3-1-4-8-31)33-15-11-29(12-16-33)30-13-17-34(18-14-30)38(46)44-25-21-40(22-26-44)28-36(42-48-40)32-9-5-2-6-10-32/h1-18H,19-28H2
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Article
PubMed
n/an/a 2.87E+3n/an/an/an/a6.5n/a



Jiangnan University



Assay Description
Briefly, the tested compounds were solubilized in DMSO and serially diluted into concentrations for the inhibitory test. The assays were carried out ...


Chem Biol Drug Des 86: 1161-7 (2015)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q20C4TJ1
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM167901
PNG
(Biphenyl-4,4'-diylbis((3-(2-fluorophenyl)-1-ox...)
Show SMILES Fc1ccccc1C1=NOC2(C1)CCN(CC2)C(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC2(CC(=NO2)c2ccccc2F)CC1 |c:43,t:8|
Show InChI InChI=1S/C40H36F2N4O4/c41-33-7-3-1-5-31(33)35-25-39(49-43-35)17-21-45(22-18-39)37(47)29-13-9-27(10-14-29)28-11-15-30(16-12-28)38(48)46-23-19-40(20-24-46)26-36(44-50-40)32-6-2-4-8-34(32)42/h1-16H,17-26H2
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Article
PubMed
n/an/a 4.96E+3n/an/an/an/a6.5n/a



Jiangnan University



Assay Description
Briefly, the tested compounds were solubilized in DMSO and serially diluted into concentrations for the inhibitory test. The assays were carried out ...


Chem Biol Drug Des 86: 1161-7 (2015)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q20C4TJ1
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM167902
PNG
(Biphenyl-4,4'-diylbis((3-(3-fluorophenyl)-1-ox...)
Show SMILES Fc1cccc(c1)C1=NOC2(C1)CCN(CC2)C(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC2(CC(=NO2)c2cccc(F)c2)CC1 |c:43,t:8|
Show InChI InChI=1S/C40H36F2N4O4/c41-33-5-1-3-31(23-33)35-25-39(49-43-35)15-19-45(20-16-39)37(47)29-11-7-27(8-12-29)28-9-13-30(14-10-28)38(48)46-21-17-40(18-22-46)26-36(44-50-40)32-4-2-6-34(42)24-32/h1-14,23-24H,15-22,25-26H2
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Article
PubMed
n/an/a 5.33E+3n/an/an/an/a6.5n/a



Jiangnan University



Assay Description
Briefly, the tested compounds were solubilized in DMSO and serially diluted into concentrations for the inhibitory test. The assays were carried out ...


Chem Biol Drug Des 86: 1161-7 (2015)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q20C4TJ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%