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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-terminal-binding protein 1 (CtBP1)'   
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
C-terminal-binding protein 1 (CtBP1)


(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-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 370n/an/an/a7.5n/a



University of Massachusetts Medical School



Assay Description
Purified CtBP2 was dialyzed overnight against 500 mL of 50 mM glycylglycine at pH 8.5, 300 mM NaCl, 1 mM EDTA, and 2 mM TCEP, with or without 1.5 mM ...


ACS Chem Biol 10: 1118-27 (2015)


Article DOI: 10.1021/cb500820b
BindingDB Entry DOI: 10.7270/Q2416VTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-terminal-binding protein 1 (CtBP1)


(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)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.26E+6n/an/an/a7.5n/a



University of Massachusetts Medical School



Assay Description
Purified CtBP2 was dialyzed overnight against 500 mL of 50 mM glycylglycine at pH 8.5, 300 mM NaCl, 1 mM EDTA, and 2 mM TCEP, with or without 1.5 mM ...


ACS Chem Biol 10: 1118-27 (2015)


Article DOI: 10.1021/cb500820b
BindingDB Entry DOI: 10.7270/Q2416VTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-terminal-binding protein 1 (CtBP1)


(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-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.77E+3n/an/an/a8.5n/a



University of Massachusetts Medical School



Assay Description
Purified CtBP2 was dialyzed overnight against 500 mL of 50 mM glycylglycine at pH 8.5, 300 mM NaCl, 1 mM EDTA, and 2 mM TCEP, with or without 1.5 mM ...


ACS Chem Biol 10: 1118-27 (2015)


Article DOI: 10.1021/cb500820b
BindingDB Entry DOI: 10.7270/Q2416VTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-terminal-binding protein 1 (CtBP1)


(Homo sapiens (Human))
BDBM213227
PNG
(Nicotinamide adenine dinucleotide (NAD))
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 390n/an/an/an/an/a



Oregon Health and Science University



Assay Description
Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 μM) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5%...


J Biol Chem 288: 27836-48 (2013)


Article DOI: 10.1074/jbc.M113.493569
BindingDB Entry DOI: 10.7270/Q2V40T2K
More data for this
Ligand-Target Pair