BDBM50083953 (Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid::4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid::4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid (0.35H2O)::CHEMBL22197::Sacchettini_7

SMILES: c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O

InChI Key: InChIKey=DLBFPLZJXXVHIG-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50083953   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Malate synthase G [C619A] (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
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Kynurenine 3-monooxygenase (Rat)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair