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PDB code 1O4D

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
VEGF-receptor 2 and tyrosine-protein kinase SRC

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14680
PNG
(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 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and tyrosine-protein kinase SRC

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14680
PNG
(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 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 2.00E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src

  (108/108 = 100%)
(Homo sapiens (human))
BDBM14680
PNG
(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 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 3.00E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and tyrosine-protein kinase SRC

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14680
PNG
(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 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 7 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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
VEGF-receptor 2 and tyrosine-protein kinase SRC

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14681
PNG
(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

AffyNet 
PDB
Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and tyrosine-protein kinase SRC

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14675
PNG
(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

AffyNet 
PDB
Article
PubMed
n/an/a 3.00E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src

  (108/108 = 100%)
(Homo sapiens (human))
BDBM14681
PNG
(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

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 5.00E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and tyrosine-protein kinase SRC

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14681
PNG
(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

AffyNet 
PDB
Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and tyrosine-protein kinase SRC

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14675
PNG
(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

AffyNet 
PDB
Article
PubMed
n/an/a 2.50E+6n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src

  (108/108 = 100%)
(Homo sapiens (human))
BDBM14675
PNG
(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

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 3.50E+6n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and tyrosine-protein kinase SRC

  (108/108 = 100%)
(Homo sapiens (Human))
BDBM14675
PNG
(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

AffyNet 
PDB
Article
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/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)

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