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PDB code 1O41

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14679
PNG
(2-formyl-6-methoxyphenoxyphosphonic acid | 2-formy...)
Show SMILES COc1cccc(C=O)c1OP(O)(O)=O
Show InChI InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 9.50E+4n/an/an/an/an/an/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)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14679
PNG
(2-formyl-6-methoxyphenoxyphosphonic acid | 2-formy...)
Show SMILES COc1cccc(C=O)c1OP(O)(O)=O
Show InChI InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 9.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00140-3
BindingDB Entry DOI: 10.7270/Q2959GW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14679
PNG
(2-formyl-6-methoxyphenoxyphosphonic acid | 2-formy...)
Show SMILES COc1cccc(C=O)c1OP(O)(O)=O
Show InChI InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 9.00E+5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src

  (108/108 = 100%)
(Homo sapiens (human))
BDBM14679
PNG
(2-formyl-6-methoxyphenoxyphosphonic acid | 2-formy...)
Show SMILES COc1cccc(C=O)c1OP(O)(O)=O
Show InChI InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
DrugBank
PDB
Article
PubMed
n/an/a 9.00E+5n/an/an/an/a7.422



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
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output