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5 similar compounds to monomer 81768

Wt: 152.1
BDBM16420
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Wt: 152.1
BDBM16421
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Wt: 152.1
BDBM92715
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Wt: 151.1
BDBM50129063
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Wt: 151.1
BDBM50129068
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 16420,16421,92715,50129063,50129068   
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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16421
PNG
((2R)-2-hydroxy-2-phenylacetic acid | CHEMBL292411 ...)
Show SMILES O[C@@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
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Article
PubMed
3.61E+5 -4.69n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Bioorg Chem 34: 424-44 (2006)


Article DOI: 10.1016/j.bioorg.2006.09.004
BindingDB Entry DOI: 10.7270/Q2SN076W
More data for this
Ligand-Target Pair
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM16420
PNG
((2S)-2-hydroxy-2-phenylacetic acid | CHEMBL58910 |...)
Show SMILES O[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
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PubMed
5.70E+5n/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
3D
3D Structure (crystal)
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM16421
PNG
((2R)-2-hydroxy-2-phenylacetic acid | CHEMBL292411 ...)
Show SMILES O[C@@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
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PubMed
5.90E+5n/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
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16420
PNG
((2S)-2-hydroxy-2-phenylacetic acid | CHEMBL58910 |...)
Show SMILES O[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
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PubMed
6.21E+5 -4.37n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Bioorg Chem 34: 424-44 (2006)


Article DOI: 10.1016/j.bioorg.2006.09.004
BindingDB Entry DOI: 10.7270/Q2SN076W
More data for this
Ligand-Target Pair
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM16421
PNG
((2R)-2-hydroxy-2-phenylacetic acid | CHEMBL292411 ...)
Show SMILES O[C@@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
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Article
PubMed
8.10E+5n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of mandelate racemase in Pseudomonas putida


Bioorg Med Chem Lett 17: 105-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.079
BindingDB Entry DOI: 10.7270/Q29W0G96
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Procollagen-proline,2-oxoglutarate-4-dioxygenase


(Gallus gallus (Chicken))
BDBM92715
PNG
((+)-Mandelate, XXI | (-)-Mandelate, XX)
Show SMILES OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
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>2.00E+7n/an/an/an/an/an/an/an/a



University of Oulu



Assay Description
Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.


J Biol Chem 261: 7819-23 (1986)


BindingDB Entry DOI: 10.7270/Q2SJ1J6Z
More data for this
Ligand-Target Pair
Procollagen-proline,2-oxoglutarate-4-dioxygenase


(Gallus gallus (Chicken))
BDBM92715
PNG
((+)-Mandelate, XXI | (-)-Mandelate, XX)
Show SMILES OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
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>2.00E+7n/an/an/an/an/an/an/an/a



University of Oulu



Assay Description
Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.


J Biol Chem 261: 7819-23 (1986)


BindingDB Entry DOI: 10.7270/Q2SJ1J6Z
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM16420
PNG
((2S)-2-hydroxy-2-phenylacetic acid | CHEMBL58910 |...)
Show SMILES O[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM16420
PNG
((2S)-2-hydroxy-2-phenylacetic acid | CHEMBL58910 |...)
Show SMILES O[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
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Article
PubMed
n/an/a 4.90E+6n/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B


Bioorg Med Chem Lett 11: 1935-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00325-0
BindingDB Entry DOI: 10.7270/Q23B5ZDV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM16421
PNG
((2R)-2-hydroxy-2-phenylacetic acid | CHEMBL292411 ...)
Show SMILES O[C@@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
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Article
PubMed
n/an/a 5.50E+6n/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B


Bioorg Med Chem Lett 11: 1935-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00325-0
BindingDB Entry DOI: 10.7270/Q23B5ZDV
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM16421
PNG
((2R)-2-hydroxy-2-phenylacetic acid | CHEMBL292411 ...)
Show SMILES O[C@@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM16420
PNG
((2S)-2-hydroxy-2-phenylacetic acid | CHEMBL58910 |...)
Show SMILES O[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM16420
PNG
((2S)-2-hydroxy-2-phenylacetic acid | CHEMBL58910 |...)
Show SMILES O[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 16420,16421,92715,50129063,50129068
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36127
JPEG
BDBM50129068
JPEG
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.37-0.762-1.611.746.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM36127
JPEG
BDBM50129063
JPEG
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.25-1.08-1.171.646.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM11
JPEG
BDBM50129068
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.41-0.242-1.171.046.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM50129063
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.29-0.192-1.100.9546.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM36127
JPEG
BDBM50129068
JPEG
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.37-0.762-1.611.746.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM36127
JPEG
BDBM50129068
JPEG
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.44-0.598-1.841.796.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)