Enzyme Monomer Search

Marvin 2D Structure

Wt: 148.1
BDBM154571

Wt: 179.1
BDBM154570

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
C-terminal-binding protein 2 (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP)) Show SMILES ON=C(Cc1ccccc1)C(O)=O \|w:1.0\| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	745	n/a	n/a	n/a	n/a	7.1	n/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) Article DOI: 10.1021/cb500820b BindingDB Entry DOI: 10.7270/Q2416VTK
University of Massachusetts Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 2 (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) Show SMILES CSCCC(=O)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/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...				Bioorg Med Chem 24: 2707-15 (2016) Article DOI: 10.1016/j.bmc.2016.04.037 BindingDB Entry DOI: 10.7270/Q28P62FX
Virginia Commonwealth University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 1 (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP)) Show SMILES ON=C(Cc1ccccc1)C(O)=O \|w:1.0\| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.77E+3	n/a	n/a	n/a	8.5	n/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
University of Massachusetts Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 1 (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) Show SMILES CSCCC(=O)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.26E+6	n/a	n/a	n/a	7.5	n/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
University of Massachusetts Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 2 (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) Show SMILES CSCCC(=O)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.96E+6	n/a	n/a	n/a	8.5	n/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
University of Massachusetts Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 2 (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP)) Show SMILES ON=C(Cc1ccccc1)C(O)=O \|w:1.0\| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	8.5	n/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
University of Massachusetts Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 1 (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP)) Show SMILES ON=C(Cc1ccccc1)C(O)=O \|w:1.0\| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	7.5	n/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
University of Massachusetts Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this search
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
C-terminal-binding protein 1 (CtBP1) (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP))	GoogleScholar PDB	PC cid PC sid PDB	-36	35.2	-69.9	6.41	7.5	20
University of Massachusetts Medical School	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP))	GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 10: 1118-27 (2015)
C-terminal-binding protein 2 (CtBP2) (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP))	GoogleScholar PDB	PC cid PC sid PDB	-33	8.79	-41.9	5.88	8.5	20
University of Massachusetts Medical School	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP))	GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 10: 1118-27 (2015)
C-terminal-binding protein 1 (CtBP1) (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP))	GoogleScholar PDB	PC cid PC sid PDB	-31	16.1	-47.7	5.52	8.5	20
University of Massachusetts Medical School	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP))	GoogleScholar PDB	PC cid PC sid PDB	ACS Chem Biol 10: 1118-27 (2015)
C-terminal-binding protein 1 (CtBP1) (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	CHEBI DrugBank KEGG PC cid PC sid PDB	-16	32.2	-47.3	2.85	7.5	20
University of Massachusetts Medical School	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	CHEBI DrugBank KEGG PC cid PC sid PDB	ACS Chem Biol 10: 1118-27 (2015)
C-terminal-binding protein 2 (CtBP2) (Homo sapiens (Human))	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	CHEBI DrugBank KEGG PC cid PC sid PDB	-14	n/a	-14	2.49	8.5	20
University of Massachusetts Medical School	BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB))	GoogleScholar PDB	CHEBI DrugBank KEGG PC cid PC sid PDB	ACS Chem Biol 10: 1118-27 (2015)