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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Imidazoline I2-receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50138435
PNG
(CHEMBL147569 | N-(12-Guanidino-dodecyl)-N-(1-phene...)
Show SMILES CCC(=O)N(CCCCCCCCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C29H51N5O/c1-2-28(35)34(22-15-10-8-6-4-3-5-7-9-14-21-32-29(30)31)27-19-24-33(25-20-27)23-18-26-16-12-11-13-17-26/h11-13,16-17,27H,2-10,14-15,18-25H2,1H3,(H4,30,31,32)
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6.5n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-BFI (1 nM) from imidazoline receptor I-2 in human brain


Bioorg Med Chem Lett 14: 491-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.048
BindingDB Entry DOI: 10.7270/Q2CR5STS
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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28n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-BFI (1 nM) from imidazoline receptor I-2 in human brain


Bioorg Med Chem Lett 14: 491-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.048
BindingDB Entry DOI: 10.7270/Q2CR5STS
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50138436
PNG
(CHEMBL146997 | N-(8-Guanidino-octyl)-N-(1-phenethy...)
Show SMILES CCC(=O)N(CCCCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H43N5O/c1-2-24(31)30(18-11-6-4-3-5-10-17-28-25(26)27)23-15-20-29(21-16-23)19-14-22-12-8-7-9-13-22/h7-9,12-13,23H,2-6,10-11,14-21H2,1H3,(H4,26,27,28)
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126n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-BFI (1 nM) from imidazoline receptor I-2 in human brain


Bioorg Med Chem Lett 14: 491-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.048
BindingDB Entry DOI: 10.7270/Q2CR5STS
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50138434
PNG
(CHEMBL147044 | N-(6-Guanidino-hexyl)-N-(1-phenethy...)
Show SMILES CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26)
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409n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-BFI (1 nM) from imidazoline receptor I-2 in human brain


Bioorg Med Chem Lett 14: 491-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.048
BindingDB Entry DOI: 10.7270/Q2CR5STS
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50138432
PNG
(CHEMBL358089 | N-(2-Guanidino-ethyl)-N-(1-phenethy...)
Show SMILES CCC(=O)N(CCNC(N)=N)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C19H31N5O/c1-2-18(25)24(15-11-22-19(20)21)17-9-13-23(14-10-17)12-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H4,20,21,22)
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437n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-BFI (1 nM) from imidazoline receptor I-2 in human brain


Bioorg Med Chem Lett 14: 491-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.048
BindingDB Entry DOI: 10.7270/Q2CR5STS
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50138433
PNG
(CHEMBL147949 | N-(3-Guanidino-propyl)-N-(1-pheneth...)
Show SMILES CCC(=O)N(CCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H33N5O/c1-2-19(26)25(13-6-12-23-20(21)22)18-10-15-24(16-11-18)14-9-17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H4,21,22,23)
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1.92E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-BFI (1 nM) from imidazoline receptor I-2 in human brain


Bioorg Med Chem Lett 14: 491-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.048
BindingDB Entry DOI: 10.7270/Q2CR5STS
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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5.46E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Displacement of [3H]2-BFI (1 nM) from imidazoline receptor I-2 in human brain


Bioorg Med Chem Lett 14: 491-3 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.048
BindingDB Entry DOI: 10.7270/Q2CR5STS
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50026628
PNG
(1-Phenylcyclopropanemethylamine | C-(1-Phenyl-cycl...)
Show SMILES NCC1(CC1)c1ccccc1
Show InChI InChI=1S/C10H13N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for (Ki value) in competition with oxidation of benzylamine.


J Med Chem 28: 1953-7 (1985)


Article DOI: 10.1021/jm00150a033
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50225448
PNG
(1-Benzyl-Cyclopropylamine | CHEMBL58222)
Show SMILES NC1(Cc2ccccc2)CC1
Show InChI InChI=1S/C10H13N/c11-10(6-7-10)8-9-4-2-1-3-5-9/h1-5H,6-8,11H2
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5.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for (Ki value) in competition with oxidation of benzylamine.


J Med Chem 28: 1953-7 (1985)


Article DOI: 10.1021/jm00150a033
More data for this
Ligand-Target Pair
Imidazoline I2-receptor


(Homo sapiens (Human))
BDBM50225448
PNG
(1-Benzyl-Cyclopropylamine | CHEMBL58222)
Show SMILES NC1(Cc2ccccc2)CC1
Show InChI InChI=1S/C10H13N/c11-10(6-7-10)8-9-4-2-1-3-5-9/h1-5H,6-8,11H2
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4.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for (Ki value) inactivation of Monoamine oxidase at saturation.


J Med Chem 28: 1953-7 (1985)


Article DOI: 10.1021/jm00150a033
More data for this
Ligand-Target Pair