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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
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Ki
IC50
Kd
EC50
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Compile Data Set for Download or QSAR
Found
5
hits of ic50 for monomerid = 50134035
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Hormone-sensitive lipase
(Rattus norvegicus (Rat))
BDBM50134035
(BENZYL BENZOATE | CHEMBL1239)
Show SMILES
O=C(OCc1ccccc1)c1ccccc1
Show InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
KEGG
UniProtKB/SwissProt
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CHEMBL
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MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
1.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
University of Jordan
Curated by
ChEMBL
Assay Description
Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay
J Med Chem
51:
6478
-
94
(2008)
Article DOI:
10.1021/jm800718k
BindingDB Entry DOI:
10.7270/Q23778KJ
More data for this
Ligand-Target Pair
Beta-lactamase
(Escherichia coli)
BDBM50134035
(BENZYL BENZOATE | CHEMBL1239)
Show SMILES
O=C(OCc1ccccc1)c1ccccc1
Show InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
PDB
MMDB
KEGG
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CHEMBL
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MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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Article
PubMed
n/a
n/a
9.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Northwestern University
Curated by
ChEMBL
Assay Description
Compound was tested for the inhibition of beta-lactamase
J Med Chem
46:
4477
-
86
(2003)
Article DOI:
10.1021/jm030191r
BindingDB Entry DOI:
10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human))
BDBM50134035
(BENZYL BENZOATE | CHEMBL1239)
Show SMILES
O=C(OCc1ccccc1)c1ccccc1
Show InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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Article
PubMed
n/a
n/a
1.25E+5
n/a
n/a
n/a
n/a
n/a
n/a
Northwestern University
Curated by
ChEMBL
Assay Description
Inhibition of malate dehydrogenase (MDH)
J Med Chem
46:
4477
-
86
(2003)
Article DOI:
10.1021/jm030191r
BindingDB Entry DOI:
10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Chymotrypsinogen A
(Bos taurus (bovine))
BDBM50134035
(BENZYL BENZOATE | CHEMBL1239)
Show SMILES
O=C(OCc1ccccc1)c1ccccc1
Show InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
2.50E+5
n/a
n/a
n/a
n/a
n/a
n/a
Northwestern University
Curated by
ChEMBL
Assay Description
Compound was tested for the inhibition of Chymotrypsinogen
J Med Chem
46:
4477
-
86
(2003)
Article DOI:
10.1021/jm030191r
BindingDB Entry DOI:
10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A
(Mus musculus)
BDBM50134035
(BENZYL BENZOATE | CHEMBL1239)
Show SMILES
O=C(OCc1ccccc1)c1ccccc1
Show InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
5.04E+5
n/a
n/a
n/a
n/a
n/a
n/a
Nagoya University
Curated by
ChEMBL
Assay Description
Antagonist activity at HA-tagged mouse AT1a angiotensin 2 receptor expressed in HEK293T cells assessed as decrease in angiotensin 2-induced intracell...
Bioorg Med Chem
16:
7843
-
52
(2008)
Article DOI:
10.1016/j.bmc.2008.03.056
BindingDB Entry DOI:
10.7270/Q2TT4TQ6
More data for this
Ligand-Target Pair