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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 50006726   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 18


(Homo sapiens (Human))
BDBM50031906
PNG
(CHEMBL3360905)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccc(OCc4ccc(cc4)C(O)=O)cc3)c(=O)n2C1c1ccc(cc1)N(C)C |c:5,t:8|
Show InChI InChI=1S/C33H31N3O6S/c1-5-41-32(40)28-20(2)34-33-36(29(28)23-12-14-25(15-13-23)35(3)4)30(37)27(43-33)18-21-8-16-26(17-9-21)42-19-22-6-10-24(11-7-22)31(38)39/h6-18,29H,5,19H2,1-4H3,(H,38,39)/b27-18+
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n/an/a 2.64E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PTPN18 (unknown origin) assessed as reduction in pNPP hydrolysis


J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 18


(Homo sapiens (Human))
BDBM50031910
PNG
(CHEMBL3360908)
Show SMILES CCN1C(=O)N\C(=C\c2ccc(OCc3ccc(cc3)C(O)=O)c(I)c2)C1=O
Show InChI InChI=1S/C20H17IN2O5/c1-2-23-18(24)16(22-20(23)27)10-13-5-8-17(15(21)9-13)28-11-12-3-6-14(7-4-12)19(25)26/h3-10H,2,11H2,1H3,(H,22,27)(H,25,26)/b16-10+
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n/an/a 2.97E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PTPN18 (unknown origin) assessed as reduction in pNPP hydrolysis


J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 18


(Homo sapiens (Human))
BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PTPN18 (unknown origin) assessed as reduction in pNPP hydrolysis


J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 18


(Homo sapiens (Human))
BDBM50343530
PNG
(5,7-dichloro-4-((3-(4-methoxyphenylthio)benzyl)(me...)
Show SMILES COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1
Show InChI InChI=1S/C25H20Cl2N2O3S/c1-29(23-13-22(25(30)31)28-21-12-16(26)11-20(27)24(21)23)14-15-4-3-5-19(10-15)33-18-8-6-17(32-2)7-9-18/h3-13H,14H2,1-2H3,(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PTPN18 (unknown origin) assessed as reduction in pNPP hydrolysis


J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair