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BDBM26126 (3-phenylphenyl)boranediol::Phenylboronic Acid, 5

SMILES: OB(O)c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=GOXICVKOZJFRMB-UHFFFAOYSA-N

Data: 5 KI  2 IC50

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 = 26126   
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
Beta-lactamase (TEM-1)


(Escherichia coli)
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
PDB

UniProtKB/SwissProt
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1.39E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
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3.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
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3.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
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6.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
PDB
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Article
3.27E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
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PubMed
n/an/a 7.10E+4n/an/an/an/an/an/a



University of Oxford



Assay Description
The endpoint enzymatic assay was developed to quantify human recombinant MGL activity with 2-AG. The formation of arachidonic acid and depletion of ...


J Med Chem 51: 7057-60 (2008)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q25D8Q58
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
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PubMed
n/an/a 130n/an/an/an/a7.437



University of Oxford



Assay Description
[3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase...


J Med Chem 51: 7057-60 (2008)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q25D8Q58
More data for this
Ligand-Target Pair