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Compile Data Set for Download or QSAR

Found 27 hits of ic50 data for polymerid = 7098   
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
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167976
PNG
(CHEMBL3799940)
Show SMILES O\N=C(\Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)5-8(11-14)9(12)13/h1-4,14H,5H2,(H,12,13)/b11-8-
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n/an/a 170n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167975
PNG
(CHEMBL3798669)
Show SMILES O\N=C(\Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C9H8ClNO3/c10-7-3-1-6(2-4-7)5-8(11-14)9(12)13/h1-4,14H,5H2,(H,12,13)/b11-8-
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n/an/a 180n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167967
PNG
(CHEMBL3797778)
Show SMILES O\N=C(\Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8-
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n/an/a 240n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167980
PNG
(CHEMBL3800609)
Show SMILES O\N=C(\Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C9H8FNO3/c10-7-3-1-6(2-4-7)5-8(11-14)9(12)13/h1-4,14H,5H2,(H,12,13)/b11-8-
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n/an/a 300n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167969
PNG
(CHEMBL3800006)
Show SMILES Cc1ccc(C\C(=N\O)C(O)=O)cc1
Show InChI InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
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n/an/a 320n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167970
PNG
(CHEMBL3800187)
Show SMILES Cc1cccc(C\C(=N\O)C(O)=O)c1
Show InChI InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
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n/an/a 480n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167979
PNG
(CHEMBL3799689)
Show SMILES O\N=C(\Cc1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)5-8(10-14)9(12)13/h1-4,11,14H,5H2,(H,12,13)/b10-8-
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n/an/a 720n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2 (CtBP2)


(Homo sapiens (Human))
BDBM154570
PNG
(2-Hydroxyimino-3-phenylpropanoic acid (HIPP))
Show SMILES ON=C(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8-
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n/an/a 745n/an/an/an/a7.1n/a



University of Massachusetts Medical School



Assay Description
Purified CtBP2 in 50% glycerol was added to 150 μM NADH and variable amounts of MTOB and HIPP in buffer containing 25 mM HEPES, pH 7.1, 25 mM p...


ACS Chem Biol 10: 1118-27 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167973
PNG
(CHEMBL3799251)
Show SMILES COc1cccc(C\C(=N\O)C(O)=O)c1
Show InChI InChI=1S/C10H11NO4/c1-15-8-4-2-3-7(5-8)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
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n/an/a 880n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167981
PNG
(CHEMBL3797935)
Show SMILES O\N=C(\Cc1ccc(cc1)C#N)C(O)=O
Show InChI InChI=1S/C10H8N2O3/c11-6-8-3-1-7(2-4-8)5-9(12-15)10(13)14/h1-4,15H,5H2,(H,13,14)/b12-9-
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n/an/a 900n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167972
PNG
(CHEMBL3800334)
Show SMILES COc1ccc(C\C(=N\O)C(O)=O)cc1
Show InChI InChI=1S/C10H11NO4/c1-15-8-4-2-7(3-5-8)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
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n/an/a 2.16E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167978
PNG
(CHEMBL3798743)
Show SMILES O\N=C(\Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,11,14H,5H2,(H,12,13)/b10-8-
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n/an/a 7.34E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167977
PNG
(CHEMBL3800103)
Show SMILES O\N=C(\Cc1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C9H8ClNO3/c10-7-4-2-1-3-6(7)5-8(11-14)9(12)13/h1-4,14H,5H2,(H,12,13)/b11-8-
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n/an/a 7.65E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167971
PNG
(CHEMBL3800267)
Show SMILES Cc1ccccc1C\C(=N\O)C(O)=O
Show InChI InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
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n/an/a 8.73E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167974
PNG
(CHEMBL3798092)
Show SMILES COc1ccccc1C\C(=N\O)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-15-9-5-3-2-4-7(9)6-8(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167651
PNG
(CHEBI:30851 | PHENYLPYRUVATE | Phenylpyruvate)
Show SMILES OC(=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C23H25NO4/c25-22(15-12-17-6-4-5-7-17)24-21(23(26)27)16-18-10-13-20(14-11-18)28-19-8-2-1-3-9-19/h1-3,8-11,13-14,16-17H,4-7,12,15H2,(H,24,25)(H,26,27)/b21-16-
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n/an/a 1.16E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2 (CtBP2)


(Homo sapiens (Human))
BDBM154572
PNG
(Phenylpyruvate (PPy))
Show SMILES CC(=O)C(=O)Oc1ccccc1
Show InChI InChI=1S/C9H8O3/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-6H,1H3
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n/an/a 1.35E+5n/an/an/an/a7.1n/a



University of Massachusetts Medical School



Assay Description
Purified CtBP2 in 50% glycerol was added to 150 μM NADH and variable amounts of MTOB and HIPP in buffer containing 25 mM HEPES, pH 7.1, 25 mM p...


ACS Chem Biol 10: 1118-27 (2015)

More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167963
PNG
(CHEMBL3799698)
Show SMILES OC(=O)C(=C)Cc1ccccc1
Show InChI InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50102174
PNG
(2-oxo-2-phenylacetic acid | 2-phenylethanoic acid ...)
Show SMILES OC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167968
PNG
(CHEMBL3800510)
Show SMILES CC(=O)Cc1ccccc1
Show InChI InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50304072
PNG
(3-PHENYLPROPIONIC ACID3-Phenyl-propionic acid | 3-...)
Show SMILES OC(=O)CCc1ccccc1
Show InChI InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167962
PNG
(CHEMBL3798514)
Show SMILES OC(=O)C(=S)Cc1ccccc1
Show InChI InChI=1S/C9H8O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM19473
PNG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
Show SMILES CC(=O)C(O)=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167964
PNG
(CHEMBL3799891)
Show SMILES OC(=O)C(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167966
PNG
(CHEMBL3799480)
Show SMILES N\N=C(\Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H10N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,12,13)/b11-8-
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM50167965
PNG
(CHEMBL3248231)
Show SMILES OC(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM154571
PNG
(4-Methylthio 2-oxobutyric acid (MTOB))
Show SMILES CSCCC(=O)C(O)=O
Show InChI InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)