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 OC(=O)C(=O)CC(=O)c1cccc(Br)c1

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50083953   

TargetGlcB(Homo sapiens (Human))
D3R

LigandPNGBDBM50083953((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
Affinity DataIC50: 800nMAssay Description:DNTB-Coupled_Enzyme_AssayMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50083953((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
Affinity DataIC50: 2.50E+3nMAssay Description:Strand transfer inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50083953((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 2More data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50083953((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 1More data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50083953((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assayMore data for this Ligand-Target Pair
TargetKynurenine 3-monooxygenase(Rattus norvegicus)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50083953((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liverMore data for this Ligand-Target Pair