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BDBM50086502 2-BFi::2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole::CHEMBL404505

SMILES: C1CN=C(N1)c1cc2ccccc2o1

InChI Key: InChIKey=YTJOHEUHUVBKSB-UHFFFAOYSA-N

Data: 16 KI  3 IC50  1 Kd

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 20 hits for monomerid = 50086502   
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
Nischarin


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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PubMed
1.60n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relative to [3H]-Idazoxan radioligand)


J Med Chem 43: 1109-22 (2000)


Article DOI: 10.1021/jm991124t
BindingDB Entry DOI: 10.7270/Q2SB48G9
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat imidazoline receptor I-1 from crude P2 membranes


Bioorg Med Chem Lett 14: 527-9 (2003)


BindingDB Entry DOI: 10.7270/Q20G3JKT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens)
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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229n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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1.90E+3n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]RX-821002 binding to rat whole brain membrane Alpha-2 adrenergic receptors


Bioorg Med Chem Lett 10: 605-7 (2000)


BindingDB Entry DOI: 10.7270/Q2PR7V63
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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3.63E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...


Bioorg Med Chem Lett 19: 546-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.001
BindingDB Entry DOI: 10.7270/Q2251J2V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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3.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2 adrenergic receptor in rat brain membrane


Bioorg Med Chem 18: 7085-91 (2010)


Article DOI: 10.1016/j.bmc.2010.08.005
BindingDB Entry DOI: 10.7270/Q2KP850W
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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4.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat alpha-2 adrenergic receptor from crude P2 membranes


Bioorg Med Chem Lett 14: 527-9 (2003)


BindingDB Entry DOI: 10.7270/Q20G3JKT
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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4.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]RX-821002 from alpha-2 adrenergic receptor


Bioorg Med Chem Lett 14: 1003-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.033
BindingDB Entry DOI: 10.7270/Q2NK3DGR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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8.30E+3n/an/an/an/an/an/an/an/a



Ushinsky Yaroslavl State Pedagogical University

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAOB using farnesylamine as substrate preincubated with substrate for 5 mins followed by enzyme addition by fluorimet...


Bioorg Med Chem Lett 29: 40-46 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.018
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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8.30E+3n/an/an/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-B using farnesylamine as substrate by horseradish peroxidase-Amplex red-coupled assay


Eur J Med Chem 145: 588-593 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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1.70E+4n/an/an/an/an/an/an/an/a



Ushinsky Yaroslavl State Pedagogical University

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAOA using p-trifluoromethyl benzylamine as substrate preincubated with substrate for 5 mins followed by enzyme addit...


Bioorg Med Chem Lett 29: 40-46 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.018
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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2.49E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Binding affinity to MAOA imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...


Bioorg Med Chem Lett 19: 546-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.001
BindingDB Entry DOI: 10.7270/Q2251J2V
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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2.60E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Binding affinity to human MAOB imidazoline binding site


Bioorg Med Chem Lett 19: 546-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.001
BindingDB Entry DOI: 10.7270/Q2251J2V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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2.69E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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2.69E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2B AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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2.69E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...


Bioorg Med Chem Lett 19: 546-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.001
BindingDB Entry DOI: 10.7270/Q2251J2V
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Inhibition of 3 nM [3H]-clonidine binding to rat kidney membrane imidazoline receptor I-1 in presence of rauwolscine


Bioorg Med Chem Lett 10: 605-7 (2000)


BindingDB Entry DOI: 10.7270/Q2PR7V63
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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n/an/an/a 9n/an/an/an/an/a



Ushinsky Yaroslavl State Pedagogical University

Curated by ChEMBL


Assay Description
Inhibition of tranylcypromine binding to human MAOB by fluorescence assay


Bioorg Med Chem Lett 29: 40-46 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.018
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universidade Federal de Santa Maria

Curated by ChEMBL


Assay Description
Binding affinity to MAOA imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...


Bioorg Med Chem Lett 19: 546-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.001
BindingDB Entry DOI: 10.7270/Q2251J2V
More data for this
Ligand-Target Pair