BDBM14681 2,6-diformyl-4-methylphenoxyphosphonic acid::2,6-diformyl-4-methylphenyl dihydrogen phosphate::CHEMBL421138::Fragment 11::RU78299

SMILES: Cc1cc(C=O)c(OP(O)(O)=O)c(C=O)c1

InChI Key: InChIKey=NAYNUXXSJZLKPW-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains 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 3 hits for monomerid = 14681   

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))	BDBM14681 (2,6-diformyl-4-methylphenoxyphosphonic acid | 2,6-...) Show SMILES Cc1cc(C=O)c(OP(O)(O)=O)c(C=O)c1 Show InChI InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	5.00E+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))	BDBM14681 (2,6-diformyl-4-methylphenoxyphosphonic acid | 2,6-...) Show SMILES Cc1cc(C=O)c(OP(O)(O)=O)c(C=O)c1 Show InChI InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.90E+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))	BDBM14681 (2,6-diformyl-4-methylphenoxyphosphonic acid | 2,6-...) Show SMILES Cc1cc(C=O)c(OP(O)(O)=O)c(C=O)c1 Show InChI InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5.00E+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)