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7 similar compounds to monomer 16419

Compile data set for download or QSAR
Wt: 150.1
BDBM16423
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Wt: 123.1
BDBM16432
Wt: 149.1
BDBM36133
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Wt: 149.1
BDBM36134
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Wt: 149.1
BDBM36104
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Wt: 149.1
BDBM36105
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Wt: 135.1
BDBM36183
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 16423,16432,36133,36134,36104,36105,36183   
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))
BDBM16432
PNG
(1-(carboxymethyl)cyclopenta-2,4-dien-1-ide cyclope...)
Show SMILES OC(=O)C[c-]1cccc1
Show InChI InChI=1S/C7H7O2/c8-7(9)5-6-3-1-2-4-6/h1-4H,5H2,(H,8,9)/q-1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.77E+4 -6.03n/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
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16423
PNG
(2-(2-methylphenyl)acetic acid | 2-Methylphenylacet...)
Show SMILES Cc1ccccc1CC(O)=O
Show InChI InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
PDB
MMDB

B.MOAD
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.20E+4n/an/an/an/an/an/an/an/a



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
3D
3D Structure (docked)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16423
PNG
(2-(2-methylphenyl)acetic acid | 2-Methylphenylacet...)
Show SMILES Cc1ccccc1CC(O)=O
Show InChI InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.00E+4 -5.59n/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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM36104
PNG
((R)-2-phenylpropionic acid)
Show SMILES C[C@@H](C([O-])=O)c1ccccc1
Show InChI InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/p-1/t7-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 1.23E+6n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH


Eur J Med Chem 45: 3564-74 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.040
BindingDB Entry DOI: 10.7270/Q23J3F68
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 7 hits for monomerid = 16423,16432,36133,36134,36104,36105,36183
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM36104
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.090.0214-2.101.536.9025



Japan Science and Technology Agency





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

BDBM11
JPEG
BDBM36105
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.12-0.0498-2.081.566.9025



Japan Science and Technology Agency





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

BDBM36127
JPEG
BDBM36133
JPEG
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.36-0.491-1.871.736.9025



Japan Science and Technology Agency





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

BDBM36127
JPEG
BDBM36134
JPEG
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.08-0.427-2.642.266.9025



Japan Science and Technology Agency





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

BDBM11
JPEG
BDBM36183
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.700.0926-1.791.246.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36133
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.461.29-2.751.086.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36134
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.190.698-2.891.616.9025



NIST





J Phys Chem B 101: 87-100 (1997)