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Compile Data Set for Download or QSAR

Found 32 hits of ic50 for UniProtKB: Q6N021   
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
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50570891
PNG
(CHEMBL4872206)
Show SMILES O[C@@H](CCc1ccc(O)c(O)c1)CC(=O)O[C@@H]1Cc2c(O)cc(O)cc2C[C@@H]1c1ccc(O)c(O)c1 |r|
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TET2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590161
PNG
(CHEMBL5193408)
Show SMILES Cc1oncc1NS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 2.27E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590162
PNG
(CHEMBL5205660)
Show SMILES OS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50570893
PNG
(CHEMBL4851104)
Show SMILES OC(CC(=C)C(O)=O)C(O)=O
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n/an/a 9.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc l...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50570898
PNG
(CHEMBL4860506)
Show SMILES O[C@@H](CC(=C)C(O)=O)C(O)=O |r|
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n/an/a 1.05E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc l...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50570897
PNG
(CHEMBL4872110)
Show SMILES O[C@H](CC(=C)C(O)=O)C(O)=O |r|
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc l...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 1.13E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590161
PNG
(CHEMBL5193408)
Show SMILES Cc1oncc1NS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 1.97E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc l...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590171
PNG
(CHEMBL5177215)
Show SMILES Fc1ccc(c2cc(I)cnc12)S(=O)(=O)Nc1ccccc1
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n/an/a 2.39E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM47715
PNG
(DEFEROXAMINE | DEFEROXAMINE MESYLATE | MLS00002871...)
Show SMILES CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
Show InChI InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
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n/an/a 4.60E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50570894
PNG
(CHEMBL4855677)
Show SMILES CC(O)(CC(=C)C(O)=O)C(O)=O
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n/an/a 5.48E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc l...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50508775
PNG
(CHEMBL4457636)
Show SMILES Nc1nc(=O)n(cc1Cl)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3O/c17-14-10-20(16(21)19-15(14)18)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,18,19,21)
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n/an/a 7.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TET2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50508775
PNG
(CHEMBL4457636)
Show SMILES Nc1nc(=O)n(cc1Cl)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3O/c17-14-10-20(16(21)19-15(14)18)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,18,19,21)
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n/an/a 7.30E+4n/an/an/an/an/an/a



Bates College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His/N-terminal FLAG-tagged TET2 (1129 to 2002 residues) expressed in baculovirus infected sf9 cells assess...


ACS Med Chem Lett 10: 180-185 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00474
BindingDB Entry DOI: 10.7270/Q2H70K4H
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590168
PNG
(CHEMBL5199439)
Show SMILES NS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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n/an/a 8.66E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50570896
PNG
(CHEMBL4847806)
Show SMILES OC(=O)\C=C\C(=O)C(O)=O
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n/an/a 1.07E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc l...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50570895
PNG
(CHEMBL4859276)
Show SMILES OC(=O)C(=C)CC(O)(C(O)=O)C(F)(F)F
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n/an/a 1.08E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc l...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590170
PNG
(CHEMBL5198851)
Show SMILES Fc1ccc(c2cc(I)cnc12)S(=O)(=O)N1CCCC1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590169
PNG
(CHEMBL5173988)
Show SMILES CNS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590167
PNG
(CHEMBL5205573)
Show SMILES Nc1cccc(OS(=O)(=O)c2ccc(F)c3ncc(I)cc23)c1
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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590166
PNG
(CHEMBL5196825)
Show SMILES CCCCCOS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590165
PNG
(CHEMBL5194069)
Show SMILES CC(C)OS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590163
PNG
(CHEMBL5198202)
Show SMILES COS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590164
PNG
(CHEMBL5207325)
Show SMILES CCOS(=O)(=O)c1ccc(F)c2ncc(I)cc12
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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590172
PNG
(CHEMBL5183202)
Show SMILES Fc1ccc(c2cc(I)cnc12)S(=O)(=O)NC1CCCCC1
PDB

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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590173
PNG
(CHEMBL5195222)
Show SMILES Fc1ccc(c2cc(I)cnc12)S(=O)(=O)NCc1ccccc1
PDB

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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590174
PNG
(CHEMBL5203367)
Show SMILES Fc1ccc(c2cc(I)cnc12)S(=O)(=O)NCCc1ccccc1
PDB

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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590175
PNG
(CHEMBL5169988)
Show SMILES Fc1ccc(c2cc(I)cnc12)S(=O)(=O)NCCN1CCOCC1
PDB

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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590176
PNG
(CHEMBL5186458)
Show SMILES Oc1cccc(NS(=O)(=O)c2ccc(F)c3ncc(I)cc23)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50590177
PNG
(CHEMBL5170671)
Show SMILES COc1cccc(NS(=O)(=O)c2ccc(F)c3ncc(I)cc23)c1
PDB

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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00186a
BindingDB Entry DOI: 10.7270/Q2SQ94C0
More data for this
Ligand-Target Pair
Methylcytosine dioxygenase TET2


(Homo sapiens)
BDBM50570892
PNG
(CHEMBL4870693)
Show SMILES OC(CCC(O)=O)C(O)=O
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.62E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc l...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116141
BindingDB Entry DOI: 10.7270/Q2GB27V8
More data for this
Ligand-Target Pair