BDBM154570 2-Hydroxyimino-3-phenylpropanoic acid (HIPP)

SMILES: ON=C(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=PNTMGOUAICFJQK-NTMALXAHSA-N

Data: 1 IC50  3 Kd  3 ITC

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 154570   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
C-terminal-binding protein 2 (CtBP2) (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP)) Show SMILES ON=C(Cc1ccccc1)C(O)=O |w:1.0| 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 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 2 (CtBP2) (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP)) Show SMILES ON=C(Cc1ccccc1)C(O)=O |w:1.0| 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 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 1 (CtBP1) (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP)) Show SMILES ON=C(Cc1ccccc1)C(O)=O |w:1.0| 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 UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-terminal-binding protein 1 (CtBP1) (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP)) Show SMILES ON=C(Cc1ccccc1)C(O)=O |w:1.0| 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 UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 154570

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
C-terminal-binding protein 2 (CtBP2) (Homo sapiens (Human))	BDBM154570 (2-Hydroxyimino-3-phenylpropanoic acid (HIPP))	GoogleScholar PDB	PC cid PC sid PDB		-7.88	2.10	-10.0	5.88	8.5	20
University of Massachusetts Medical School					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		-7.40	3.85	-11.4	5.52	8.5	20
University of Massachusetts Medical School					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		-8.60	8.40	-16.7	6.41	7.5	20
University of Massachusetts Medical School					ACS Chem Biol 10: 1118-27 (2015)