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Compile Data Set for Download or QSAR

Found 1555 hits with Last Name = 'ren' and Initial = 'h'   
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 I1


(RAT)
BDBM50387827
PNG
(CHEMBL2058635)
Show SMILES CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
Show InChI InChI=1S/C11H12ClIN2/c1-7-2-5-11(14-7)15-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,14,15)
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0.200n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50387827
PNG
(CHEMBL2058635)
Show SMILES CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
Show InChI InChI=1S/C11H12ClIN2/c1-7-2-5-11(14-7)15-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,14,15)
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0.219n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070374
PNG
(CHEMBL3408293)
Show SMILES Cl.CC1CN\C(C1)=N/c1ccc(Cl)c2CCCc12
Show InChI InChI=1/C14H17ClN2/c1-9-7-14(16-8-9)17-13-6-5-12(15)10-3-2-4-11(10)13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
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0.220n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215802
PNG
(US9303019, 8)
Show SMILES CC1CN=C(C1)Nc1ccc(Cl)c2CCCc12 |c:3|
Show InChI InChI=1/C14H17ClN2/c1-9-7-14(16-8-9)17-13-6-5-12(15)10-3-2-4-11(10)13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
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US Patent
0.220 -57.3n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395060
PNG
(CHEMBL2163916)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(28-9-5-15-45-28)38-31(42)26(17-21-18-36-25-7-3-2-6-23(21)25)37-32(43)27-8-4-14-39(27)33(44)24(34)16-20-10-12-22(40)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,36,40H,1,4,8,14,16-17,34H2,(H2,35,41)(H,37,43)(H,38,42)/t24-,26-,27-,29+/m0/s1
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0.221n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395059
PNG
(CHEMBL2163917)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccoc1 |r|
Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(21-12-14-45-18-21)38-31(42)27(16-22-17-36-26-6-3-2-5-24(22)26)37-32(43)28-7-4-13-39(28)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-3,5-6,8-12,14,17-18,25,27-29,36,40H,1,4,7,13,15-16,34H2,(H2,35,41)(H,37,43)(H,38,42)/t25-,27-,28-,29+/m0/s1
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0.274n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421256
PNG
(CHEMBL2087874)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H28N4O2S2/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)32-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29)
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0.300n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of ACK1 kinase (unknown origin)


J Med Chem 58: 2746-63 (2015)


Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50343621
PNG
(1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-nitrobenzyl)pi...)
Show SMILES [O-][N+](=O)c1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-22(24)17-4-1-15(2-5-17)12-20-7-9-21(10-8-20)13-16-3-6-18-19(11-16)26-14-25-18/h1-6,11H,7-10,12-14H2
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0.430n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay


Bioorg Med Chem 19: 2911-7 (2011)


Article DOI: 10.1016/j.bmc.2011.03.037
BindingDB Entry DOI: 10.7270/Q2QJ7HN1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395068
PNG
(CHEMBL2163921)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/m0/s1
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0.535n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50343619
PNG
(1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-bromobenzyl)pi...)
Show SMILES Brc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H21BrN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2
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0.780n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay


Bioorg Med Chem 19: 2911-7 (2011)


Article DOI: 10.1016/j.bmc.2011.03.037
BindingDB Entry DOI: 10.7270/Q2QJ7HN1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50343620
PNG
(1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-iodobenzyl)pip...)
Show SMILES Ic1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H21IN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2
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0.800n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay


Bioorg Med Chem 19: 2911-7 (2011)


Article DOI: 10.1016/j.bmc.2011.03.037
BindingDB Entry DOI: 10.7270/Q2QJ7HN1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50343618
PNG
(1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-fluorobenzyl)p...)
Show SMILES Fc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H21FN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2
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0.850n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay


Bioorg Med Chem 19: 2911-7 (2011)


Article DOI: 10.1016/j.bmc.2011.03.037
BindingDB Entry DOI: 10.7270/Q2QJ7HN1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50343622
PNG
(1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-methylbenzyl)-...)
Show SMILES Cc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C20H24N2O2/c1-16-2-4-17(5-3-16)13-21-8-10-22(11-9-21)14-18-6-7-19-20(12-18)24-15-23-19/h2-7,12H,8-11,13-15H2,1H3
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0.910n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay


Bioorg Med Chem 19: 2911-7 (2011)


Article DOI: 10.1016/j.bmc.2011.03.037
BindingDB Entry DOI: 10.7270/Q2QJ7HN1
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50387823
PNG
(CHEMBL2058631)
Show SMILES CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
Show InChI InChI=1S/C10H11Cl2N3/c1-6-5-13-10(14-6)15-9-7(11)3-2-4-8(9)12/h2-4,6H,5H2,1H3,(H2,13,14,15)
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0.930n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50387823
PNG
(CHEMBL2058631)
Show SMILES CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
Show InChI InChI=1S/C10H11Cl2N3/c1-6-5-13-10(14-6)15-9-7(11)3-2-4-8(9)12/h2-4,6H,5H2,1H3,(H2,13,14,15)
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0.933n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM111939
PNG
(US8618107, 105)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO
Show InChI InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)
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1.30n/an/an/an/an/an/an/an/a



Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL




ACS Med Chem Lett 8: 608-613 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00103
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Binding affinity to emopamil binding protein


Bioorg Med Chem 19: 2911-7 (2011)


Article DOI: 10.1016/j.bmc.2011.03.037
BindingDB Entry DOI: 10.7270/Q2QJ7HN1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50095155
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070366
PNG
(CHEMBL3408289)
Show SMILES Cl.CC1CC\C(N1)=N\c1ccc(Cl)c2CCCc12
Show InChI InChI=1/C14H17ClN2/c1-9-5-8-14(16-9)17-13-7-6-12(15)10-3-2-4-11(10)13/h6-7,9H,2-5,8H2,1H3,(H,16,17)
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2.80n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215803
PNG
(US9303019, 9)
Show SMILES CC1CN=C(C1)Nc1ccc(C)c2CCCc12 |c:3|
Show InChI InChI=1/C15H20N2/c1-10-8-15(16-9-10)17-14-7-6-11(2)12-4-3-5-13(12)14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
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2.80 -50.8n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070375
PNG
(CHEMBL3408294)
Show SMILES Cl.CC1CN\C(C1)=N/c1ccc(C)c2CCCc12
Show InChI InChI=1/C15H20N2/c1-10-8-15(16-9-10)17-14-7-6-11(2)12-4-3-5-13(12)14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
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2.80n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215805
PNG
(US9303019, 20)
Show SMILES CC1CCC(Nc2ccc(Cl)c3CCCc23)=N1 |c:17|
Show InChI InChI=1/C14H17ClN2/c1-9-5-8-14(16-9)17-13-7-6-12(15)10-3-2-4-11(10)13/h6-7,9H,2-5,8H2,1H3,(H,16,17)
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US Patent
2.80 -50.8n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070372
PNG
(CHEMBL3408291)
Show SMILES Cl.CC1CN\C(C1)=N\c1cccc(Cl)c1C
Show InChI InChI=1/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
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3.20n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395064
PNG
(CHEMBL2163912)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(22-6-4-7-24(36)17-22)41-33(45)29(18-23-19-39-28-9-3-2-8-26(23)28)40-34(46)30-10-5-15-42(30)35(47)27(37)16-21-11-13-25(43)14-12-21/h2-4,6-9,11-14,17,19,27,29-31,39,43H,1,5,10,15-16,18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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3.80n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395062
PNG
(CHEMBL2163914)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=C)C(N)=O |r|
Show InChI InChI=1S/C36H40N6O6/c1-21(33(38)44)32(23-11-15-26(48-2)16-12-23)41-34(45)30(19-24-20-39-29-7-4-3-6-27(24)29)40-35(46)31-8-5-17-42(31)36(47)28(37)18-22-9-13-25(43)14-10-22/h3-4,6-7,9-16,20,28,30-32,39,43H,1,5,8,17-19,37H2,2H3,(H2,38,44)(H,40,46)(H,41,45)/t28-,30-,31-,32+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070329
PNG
(CHEMBL268734)
Show SMILES Cc1ccc(F)c(c1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C10H11FN2/c1-7-2-3-9(11)8(6-7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
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5.30n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50187800
PNG
((S)-ethyl 1-(5-(4-phenethoxybenzyl)-1,2,4-oxadiazo...)
Show SMILES CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1
Show InChI InChI=1S/C26H32N4O5/c1-2-33-26(32)28-22(10-6-7-16-27)24(31)25-29-23(35-30-25)18-20-11-13-21(14-12-20)34-17-15-19-8-4-3-5-9-19/h3-5,8-9,11-14,22H,2,6-7,10,15-18,27H2,1H3,(H,28,32)/t22-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to human tryptase beta2


Bioorg Med Chem Lett 16: 4085-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.088
BindingDB Entry DOI: 10.7270/Q2X929W7
More data for this
Ligand-Target Pair
Tryptase alpha/beta-1


(Rattus norvegicus)
BDBM50187800
PNG
((S)-ethyl 1-(5-(4-phenethoxybenzyl)-1,2,4-oxadiazo...)
Show SMILES CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1
Show InChI InChI=1S/C26H32N4O5/c1-2-33-26(32)28-22(10-6-7-16-27)24(31)25-29-23(35-30-25)18-20-11-13-21(14-12-20)34-17-15-19-8-4-3-5-9-19/h3-5,8-9,11-14,22H,2,6-7,10,15-18,27H2,1H3,(H,28,32)/t22-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to rat tryptase


Bioorg Med Chem Lett 16: 4085-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.088
BindingDB Entry DOI: 10.7270/Q2X929W7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395063
PNG
(CHEMBL2163913)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(25-8-2-4-9-26(25)36)41-33(45)29(18-22-19-39-28-10-5-3-7-24(22)28)40-34(46)30-11-6-16-42(30)35(47)27(37)17-21-12-14-23(43)15-13-21/h2-5,7-10,12-15,19,27,29-31,39,43H,1,6,11,16-18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070361
PNG
(CHEMBL3408298)
Show SMILES CC1CC\C(N1)=N/c1cc(N=[N+]=[N-])c(I)cc1Cl
Show InChI InChI=1/C11H11ClIN5/c1-6-2-3-11(15-6)16-9-5-10(17-18-14)8(13)4-7(9)12/h4-6H,2-3H2,1H3,(H,15,16)
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6n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070330
PNG
(CHEMBL3408297)
Show SMILES NC1=NCC(COc2ccccc2Br)O1 |t:1|
Show InChI InChI=1/C10H11BrN2O2/c11-8-3-1-2-4-9(8)14-6-7-5-13-10(12)15-7/h1-4,7H,5-6H2,(H2,12,13)
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6.40n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50336997
PNG
(2-chloro-4-((1R,2S)-1-(5-(4-cyanophenyl)-1,3,4-oxa...)
Show SMILES C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay


ACS Med Chem Lett 2: 124-129 (2011)


Article DOI: 10.1021/ml1002508
BindingDB Entry DOI: 10.7270/Q2JQ119N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395065
PNG
(CHEMBL2163911)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(22-10-12-24(36)13-11-22)41-33(45)29(18-23-19-39-28-6-3-2-5-26(23)28)40-34(46)30-7-4-16-42(30)35(47)27(37)17-21-8-14-25(43)15-9-21/h2-3,5-6,8-15,19,27,29-31,39,43H,1,4,7,16-18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395061
PNG
(CHEMBL2163915)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C36H38N6O7/c1-20(33(38)44)32(22-10-13-30-31(17-22)49-19-48-30)41-34(45)28(16-23-18-39-27-6-3-2-5-25(23)27)40-35(46)29-7-4-14-42(29)36(47)26(37)15-21-8-11-24(43)12-9-21/h2-3,5-6,8-13,17-18,26,28-29,32,39,43H,1,4,7,14-16,19,37H2,(H2,38,44)(H,40,46)(H,41,45)/t26-,28-,29-,32+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215800
PNG
(US9303019, 1)
Show SMILES CC1CN=C(C1)Nc1cccc(Cl)c1C |c:3|
Show InChI InChI=1/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
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US Patent
8.10 -48.0n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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8.70n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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9.30n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay


ACS Med Chem Lett 2: 124-129 (2011)


Article DOI: 10.1021/ml1002508
BindingDB Entry DOI: 10.7270/Q2JQ119N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Imidazoline I1


(RAT)
BDBM50262235
PNG
(rilmenidine)
Show SMILES C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|
Show InChI InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)/p+1
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11n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50262235
PNG
(rilmenidine)
Show SMILES C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|
Show InChI InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)/p+1
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13n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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14n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395066
PNG
(CHEMBL2163910)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C35H37FN6O5/c1-20(32(38)44)31(22-10-12-24(36)13-11-22)41-33(45)29(18-23-19-39-28-6-3-2-5-26(23)28)40-34(46)30-7-4-16-42(30)35(47)27(37)17-21-8-14-25(43)15-9-21/h2-3,5-6,8-15,19,27,29-31,39,43H,1,4,7,16-18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1
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14n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395067
PNG
(CHEMBL2163922)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=C)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H37N5O5/c1-21(31(36)41)29(24-10-5-3-6-11-24)37-32(42)22(2)30(25-12-7-4-8-13-25)38-33(43)28-14-9-19-39(28)34(44)27(35)20-23-15-17-26(40)18-16-23/h3-8,10-13,15-18,27-30,40H,1-2,9,14,19-20,35H2,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29+,30+/m0/s1
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16n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215801
PNG
(US9303019, 5)
Show SMILES CC1CCC(Nc2cccc3CCCc23)=N1 |c:16|
Show InChI InChI=1/C14H18N2/c1-10-8-9-14(15-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
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US Patent
19 -45.8n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070373
PNG
(CHEMBL3408292)
Show SMILES Cl.CC1CN\C(C1)=N/c1cccc2CCCc12
Show InChI InChI=1/C14H18N2/c1-10-8-14(15-9-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50070364
PNG
(CHEMBL3408285)
Show SMILES Cl.CC1CC\C(N1)=N\c1cccc2CCCc12
Show InChI InChI=1/C14H18N2/c1-10-8-9-14(15-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM21363
PNG
(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Show SMILES Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
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26n/an/an/an/an/an/an/an/a



Leiden University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 803-12 (1996)


BindingDB Entry DOI: 10.7270/Q29P305P
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395058
PNG
(CHEMBL2163918)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(30-12-6-9-25-8-2-3-10-28(25)30)44-37(48)33(21-26-22-42-32-13-5-4-11-29(26)32)43-38(49)34-14-7-19-45(34)39(50)31(40)20-24-15-17-27(46)18-16-24/h2-6,8-13,15-18,22,31,33-35,42,46H,1,7,14,19-21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/m0/s1
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26n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
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