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BDBM50080274 Benzyl-phosphonic acid::CHEMBL299737::Phenyl-methanephosphonic acid anion::benzylphosphonic acid

SMILES: OP(O)(=O)Cc1ccccc1

InChI Key: InChIKey=OGBVRMYSNSKIEF-UHFFFAOYSA-N

Data: 5 KI  1 IC50  1 Kd

PDB links: 2 PDB IDs match 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 7 hits for monomerid = 50080274   
Target/Host
(Institution)
LigandTarget/Host
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
Alkaline phosphatase placental type


(Homo sapiens (Human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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Article
PubMed
5.80E+5n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of human placental alkaline phosphatase using p-nitrophenyl phosphate substrate


Bioorg Med Chem 23: 4462-71 (2015)


Article DOI: 10.1016/j.bmc.2015.06.017
BindingDB Entry DOI: 10.7270/Q2R78GZ7
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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5.80E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3


(Bos taurus)
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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1.40E+6n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal 5'-nucleotide phosphodiesterase using 4-nitrophenyl phenylphosphonate substrate by spectrophotometry


Bioorg Med Chem 23: 4462-71 (2015)


Article DOI: 10.1016/j.bmc.2015.06.017
BindingDB Entry DOI: 10.7270/Q2R78GZ7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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NCI pathway
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3.00E+6n/an/an/an/an/an/an/an/a



University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using nPP substrate


Bioorg Med Chem 23: 4462-71 (2015)


Article DOI: 10.1016/j.bmc.2015.06.017
BindingDB Entry DOI: 10.7270/Q2R78GZ7
More data for this
Ligand-Target Pair
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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3.60E+6n/an/an/an/an/an/a7.5n/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5


Bioorg Med Chem Lett 13: 2041-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00311-1
BindingDB Entry DOI: 10.7270/Q2XP75HB
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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n/an/an/a 5.90E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain


Bioorg Med Chem Lett 9: 2403-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00403-5
BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair