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BDBM14683 CHEMBL286758::DPI59::Fragment 13::[hydroxy(1-naphthyl)methyl]phosphonic acid::[hydroxy(naphthalen-1-yl)methyl]phosphonic acid

SMILES: OP(O)(O)C(=O)c1cccc2ccccc12

InChI Key: InChIKey=OCLMJONKCRLACE-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 14683   
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
Src


(Homo sapiens (human))
BDBM14683
PNG
(CHEMBL286758 | DPI59 | Fragment 13 | [hydroxy(1-na...)
Show SMILES OP(O)(O)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-16H
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM14683
PNG
(CHEMBL286758 | DPI59 | Fragment 13 | [hydroxy(1-na...)
Show SMILES OP(O)(O)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-16H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.01E+9n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of red kidney bean PAP at pH 6.2


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14683
PNG
(CHEMBL286758 | DPI59 | Fragment 13 | [hydroxy(1-na...)
Show SMILES OP(O)(O)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-16H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+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


Citation and Details
More data for this
Ligand-Target Pair