BDBM14676 2-phenylpropanedioic acid::CHEMBL78794::Fragment 6::Phenylmalonate::RU78191

SMILES OC(=O)C(C(O)=O)c1ccccc1

InChI Key InChIKey=WWYDYZMNFQIYPT-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 14676   

TargetProto-oncogene tyrosine-protein kinase Src [145-252](Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM14676(2-phenylpropanedioic acid | CHEMBL78794 | Fragment...)
Show SMILES OC(=O)C(C(O)=O)c1ccccc1
Show InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
Affinity DataIC50: 2.50E+6nMpH: 7.4 T: 2°CAssay Description:SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Aventis

Curated by ChEMBL
LigandPNGBDBM14676(2-phenylpropanedioic acid | CHEMBL78794 | Fragment...)
Show SMILES OC(=O)C(C(O)=O)c1ccccc1
Show InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
Affinity DataIC50: 2.00E+5nMAssay Description:Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Waseda University

Curated by ChEMBL
LigandPNGBDBM14676(2-phenylpropanedioic acid | CHEMBL78794 | Fragment...)
Show SMILES OC(=O)C(C(O)=O)c1ccccc1
Show InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
Affinity DataIC50: 1.20E+7nMAssay Description:Inhibitory activity against Syk C-terminal SH2.More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Aventis

Curated by ChEMBL
LigandPNGBDBM14676(2-phenylpropanedioic acid | CHEMBL78794 | Fragment...)
Show SMILES OC(=O)C(C(O)=O)c1ccccc1
Show InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
Affinity DataIC50: 2.53E+9nMAssay Description:Binding affinity for Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assayMore data for this Ligand-Target Pair