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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: P32019   
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
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50511342
PNG
(CHEMBL4538474)
Show SMILES OP(O)(=O)Oc1cc(OP(O)(O)=O)c(OP(O)(O)=O)cc1OP(O)(O)=O
Show InChI InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-4(20-24(10,11)12)6(22-26(16,17)18)2-5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
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n/an/a 6.30E+3n/an/an/an/an/an/a



School of Biological Sciences, UEA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged INPP5B (259 to 563 residues) expressed in Escherichia coli BL21 (DE3) incubated for 5 mins usin...


ACS Med Chem Lett 11: 309-315 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00368
BindingDB Entry DOI: 10.7270/Q2BP063F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50511345
PNG
(CHEMBL4566548)
Show SMILES OP(O)(=O)Oc1cccc(OP(O)(O)=O)c1OP(O)(O)=O
Show InChI InChI=1S/C6H9O12P3/c7-19(8,9)16-4-2-1-3-5(17-20(10,11)12)6(4)18-21(13,14)15/h1-3H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)
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n/an/a 3.35E+4n/an/an/an/an/an/a



School of Biological Sciences, UEA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged INPP5B (259 to 563 residues) expressed in Escherichia coli BL21 (DE3) incubated for 5 mins usin...


ACS Med Chem Lett 11: 309-315 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00368
BindingDB Entry DOI: 10.7270/Q2BP063F
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558461
PNG
(CHEMBL4760367)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558485
PNG
(CHEMBL4800195)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558486
PNG
(CHEMBL4797766)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc2nc([nH]c2c1)C(F)(F)F)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558487
PNG
(CHEMBL4786243)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558484
PNG
(CHEMBL4748824)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558488
PNG
(CHEMBL4794972)
Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558482
PNG
(CHEMBL4742123)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558481
PNG
(CHEMBL4783639)
Show SMILES OS(=O)(=O)C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Type II inositol 1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50558483
PNG
(CHEMBL4778085)
Show SMILES OS(=O)(=O)C(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
PDB
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair