BDBM14675 CHEMBL26128::Fragment 5::Phenylphosphate::phenoxyphosphonic acid

SMILES: OP(O)(=O)Oc1ccccc1

InChI Key: InChIKey=CMPQUABWPXYYSH-UHFFFAOYSA-N

Data: 5 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer. 30 PDB IDs contain this monomer as substructures. 30 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 6 hits for monomerid = 14675   

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))	BDBM14675 (CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...) Show SMILES OP(O)(=O)Oc1ccccc1 Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3.50E+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))	BDBM14675 (CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...) Show SMILES OP(O)(=O)Oc1ccccc1 Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	5.00E+6	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)
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM14675 (CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...) Show SMILES OP(O)(=O)Oc1ccccc1 Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.25E+6	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description Inhibitory activity against human serum paraoxonase (PON1)				Bioorg Med Chem Lett 13: 1623-6 (2003) BindingDB Entry DOI: 10.7270/Q23B60P7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM14675 (CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...) Show SMILES OP(O)(=O)Oc1ccccc1 Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB 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 domainusing 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))	BDBM14675 (CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...) Show SMILES OP(O)(=O)Oc1ccccc1 Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.50E+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)
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM14675 (CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...) Show SMILES OP(O)(=O)Oc1ccccc1 Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against Lck SH2 domain				Bioorg Med Chem Lett 9: 2403-6 (1999) BindingDB Entry DOI: 10.7270/Q2Z89BK7
					More data for this Ligand-Target Pair