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PDB code 1O4Q

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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))
BDBM14677
PNG
(2-phenyl-2-sulfoacetic acid | CHEMBL80333 | Fragme...)
Show SMILES OC(=O)C(c1ccccc1)S(O)(=O)=O
Show InChI InChI=1/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


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AffyNet 
PDB
Article
PubMed
n/an/a 1.92E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using 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))
BDBM14677
PNG
(2-phenyl-2-sulfoacetic acid | CHEMBL80333 | Fragme...)
Show SMILES OC(=O)C(c1ccccc1)S(O)(=O)=O
Show InChI InChI=1/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 3.20E+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))
BDBM14677
PNG
(2-phenyl-2-sulfoacetic acid | CHEMBL80333 | Fragme...)
Show SMILES OC(=O)C(c1ccccc1)S(O)(=O)=O
Show InChI InChI=1/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 3.23E+9n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards 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