BDBM14683 CHEMBL286758::DPI59::Fragment 13::[hydroxy(1-naphthyl)methyl]phosphonic acid::[hydroxy(naphthalen-1-yl)methyl]phosphonic acid

SMILES: OP(O)(O)C(=O)c1cccc2ccccc12

InChI Key: InChIKey=OCLMJONKCRLACE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 14683   

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))	BDBM14683 (CHEMBL286758 | DPI59 | Fragment 13 | [hydroxy(1-na...) Show SMILES OP(O)(O)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-16H	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>5.00E+6	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))	BDBM14683 (CHEMBL286758 | DPI59 | Fragment 13 | [hydroxy(1-na...) Show SMILES OP(O)(O)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	>5.00E+6	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)
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM14683 (CHEMBL286758 | DPI59 | Fragment 13 | [hydroxy(1-na...) Show SMILES OP(O)(O)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-16H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.01E+9	n/a	n/a	n/a	n/a	6.2	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney bean PAP at pH 6.2				Bioorg Med Chem Lett 19: 163-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.125 BindingDB Entry DOI: 10.7270/Q2GQ6XMQ
					More data for this Ligand-Target Pair