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BDBM14687 CHEMBL284362::Fragment 17::ISO24::[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID::[(4-ethylphenyl)carbamoyl]phosphonic acid

SMILES: CCc1ccc(NC(=O)P(O)(O)=O)cc1

InChI Key: InChIKey=KGNSYMGWPCEFDZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 14687   
Target
(Institution)
LigandTarget
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
pHTemp
°C
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM14687
PNG
(CHEMBL284362 | Fragment 17 | ISO24 | [(4-ETHYLPHEN...)
Show SMILES CCc1ccc(NC(=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 4.40E+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


(Homo sapiens (human))
BDBM14687
PNG
(CHEMBL284362 | Fragment 17 | ISO24 | [(4-ETHYLPHEN...)
Show SMILES CCc1ccc(NC(=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 4.40E+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)