BDBM14680 2-formylphenoxyphosphonic acid::2-formylphenyl dihydrogen phosphate::CHEMBL286678::Fragment 10::RU78262

SMILES: OP(O)(=O)Oc1ccccc1C=O

InChI Key: InChIKey=BYNSFVCWJXZPOW-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to 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 = 14680   

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
Proto-oncogene tyrosine-protein kinase Src (aa 145-252) (Homo sapiens (Human))	BDBM14680 (2-formylphenoxyphosphonic acid | 2-formylphenyl di...) Show SMILES OP(O)(=O)Oc1ccccc1C=O Show InChI InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	7.4	22
Aventis Pharma					Assay 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...				J Med Chem 46: 5184-95 (2003) Article DOI: 10.1021/jm020970s BindingDB Entry DOI: 10.7270/Q2XW4H14
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM14680 (2-formylphenoxyphosphonic acid | 2-formylphenyl di...) Show SMILES OP(O)(=O)Oc1ccccc1C=O Show InChI InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity towards phosphotyrosine binding pocket of Src protein tryrosine kinase SH2 domain				Bioorg Med Chem Lett 12: 1295-8 (2002) BindingDB Entry DOI: 10.7270/Q2959GW0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM14680 (2-formylphenoxyphosphonic acid | 2-formylphenyl di...) Show SMILES OP(O)(=O)Oc1ccccc1C=O Show InChI InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)				J Med Chem 45: 2379-87 (2002) BindingDB Entry DOI: 10.7270/Q21J992G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM14680 (2-formylphenoxyphosphonic acid | 2-formylphenyl di...) Show SMILES OP(O)(=O)Oc1ccccc1C=O Show InChI InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Binding affinity for Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay				J Med Chem 45: 2379-87 (2002) BindingDB Entry DOI: 10.7270/Q21J992G
					More data for this Ligand-Target Pair				3D Structure (crystal)