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PubMed code 17420073

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 0.490n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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 0.680n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 2.20n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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 3.17n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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 3.58n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210193
PNG
(6-benzyl-8-butyl-2-methoxy-6,8-diaza-bicyclo[3.2.2...)
Show SMILES CCCCN1CC2CCC(OC)C1CN2Cc1ccccc1 |w:6.6,12.13,9.9,TLB:3:4:14.13:7.8.9,THB:15:14:7.8.9:5.4,TEB:10:9:14.13:5.4|
Show InChI InChI=1S/C19H30N2O/c1-3-4-12-20-14-17-10-11-19(22-2)18(20)15-21(17)13-16-8-6-5-7-9-16/h5-9,17-19H,3-4,10-15H2,1-2H3
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 13.2n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210185
PNG
((1R,2R,5S )-6-benzyl-2-benzyloxy-8-methyl-6,8-diaz...)
Show SMILES CN1CC2CC[C@@H](OCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,3.3,TLB:7:6:17.16:2.1,0:1:17.16:4.5.6,THB:18:17:4.5.6:2.1|
Show InChI InChI=1S/C22H28N2O/c1-23-15-20-12-13-22(25-17-19-10-6-3-7-11-19)21(23)16-24(20)14-18-8-4-2-5-9-18/h2-11,20-22H,12-17H2,1H3/t20?,21?,22-/m1/s1
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 16.2n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210187
PNG
(6-benzyl-8-butyl-6,8-diaza-bicyclo[3.2.2]nonan-2-o...)
Show SMILES CCCCN1CC2CCC(O)C1CN2Cc1ccccc1 |w:6.6,11.12,9.9,TLB:3:4:13.12:7.8.9,THB:14:13:7.8.9:5.4,TEB:10:9:13.12:5.4|
Show InChI InChI=1S/C18H28N2O/c1-2-3-11-19-13-16-9-10-18(21)17(19)14-20(16)12-15-7-5-4-6-8-15/h4-8,16-18,21H,2-3,9-14H2,1H3
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 23.4n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210184
PNG
((1R,2R,5S )-6-benzyl-8-(2-phenylethyl)-6,8-diazabi...)
Show SMILES O[C@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
Show InChI InChI=1S/C22H28N2O/c25-22-12-11-20-16-23(14-13-18-7-3-1-4-8-18)21(22)17-24(20)15-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20?,21?,22-/m0/s1
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 29.5n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210183
PNG
((1R,2S,5S )-6-Benzyl-8-(2-phenylethyl)-6,8-diazabi...)
Show SMILES O[C@@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
Show InChI InChI=1S/C22H28N2O/c25-22-12-11-20-16-23(14-13-18-7-3-1-4-8-18)21(22)17-24(20)15-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20?,21?,22-/m1/s1
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 33.3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210181
PNG
(6-benzyl-2-(benzyloxy)-8-butyl-6,8-diaza-bicyclo[3...)
Show SMILES CCCCN1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:18.20,9.9,6.6,TLB:3:4:20.19:7.8.9,THB:21:20:7.8.9:5.4,TEB:10:9:20.19:5.4|
Show InChI InChI=1S/C25H34N2O/c1-2-3-16-26-18-23-14-15-25(28-20-22-12-8-5-9-13-22)24(26)19-27(23)17-21-10-6-4-7-11-21/h4-13,23-25H,2-3,14-20H2,1H3
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 39.5n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210182
PNG
(6-benzyl-2-methoxy-8-phenethyl-6,8-diaza-bicyclo[3...)
Show SMILES COC1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:16.18,2.1,5.4,TLB:19:18:4.3.2:6.7,8:7:18.17:4.3.2,TEB:1:2:18.17:6.7|
Show InChI InChI=1S/C23H30N2O/c1-26-23-13-12-21-17-24(15-14-19-8-4-2-5-9-19)22(23)18-25(21)16-20-10-6-3-7-11-20/h2-11,21-23H,12-18H2,1H3
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 76n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210193
PNG
(6-benzyl-8-butyl-2-methoxy-6,8-diaza-bicyclo[3.2.2...)
Show SMILES CCCCN1CC2CCC(OC)C1CN2Cc1ccccc1 |w:6.6,12.13,9.9,TLB:3:4:14.13:7.8.9,THB:15:14:7.8.9:5.4,TEB:10:9:14.13:5.4|
Show InChI InChI=1S/C19H30N2O/c1-3-4-12-20-14-17-10-11-19(22-2)18(20)15-21(17)13-16-8-6-5-7-9-16/h5-9,17-19H,3-4,10-15H2,1-2H3
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 157n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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 164n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210191
PNG
(6-benzyl-2-(benzyloxy)-8-phenethyl-6,8-diaza-bicyc...)
Show SMILES C(Cc1ccccc1)N1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:22.25,13.14,10.11,TLB:0:8:24.23:11.12.13,THB:25:24:11.12.13:9.8,TEB:14:13:24.23:9.8|
Show InChI InChI=1S/C29H34N2O/c1-4-10-24(11-5-1)18-19-30-21-27-16-17-29(32-23-26-14-8-3-9-15-26)28(30)22-31(27)20-25-12-6-2-7-13-25/h1-15,27-29H,16-23H2
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 175n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210185
PNG
((1R,2R,5S )-6-benzyl-2-benzyloxy-8-methyl-6,8-diaz...)
Show SMILES CN1CC2CC[C@@H](OCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,3.3,TLB:7:6:17.16:2.1,0:1:17.16:4.5.6,THB:18:17:4.5.6:2.1|
Show InChI InChI=1S/C22H28N2O/c1-23-15-20-12-13-22(25-17-19-10-6-3-7-11-19)21(23)16-24(20)14-18-8-4-2-5-9-18/h2-11,20-22H,12-17H2,1H3/t20?,21?,22-/m1/s1
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 585n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210181
PNG
(6-benzyl-2-(benzyloxy)-8-butyl-6,8-diaza-bicyclo[3...)
Show SMILES CCCCN1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:18.20,9.9,6.6,TLB:3:4:20.19:7.8.9,THB:21:20:7.8.9:5.4,TEB:10:9:20.19:5.4|
Show InChI InChI=1S/C25H34N2O/c1-2-3-16-26-18-23-14-15-25(28-20-22-12-8-5-9-13-22)24(26)19-27(23)17-21-10-6-4-7-11-21/h4-13,23-25H,2-3,14-20H2,1H3
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 1.11E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210184
PNG
((1R,2R,5S )-6-benzyl-8-(2-phenylethyl)-6,8-diazabi...)
Show SMILES O[C@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
Show InChI InChI=1S/C22H28N2O/c25-22-12-11-20-16-23(14-13-18-7-3-1-4-8-18)21(22)17-24(20)15-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20?,21?,22-/m0/s1
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 1.29E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210186
PNG
((1R,2R,5S )-6-benzyl-2-methoxy-8-methyl-6,8-diazab...)
Show SMILES CO[C@@H]1CCC2CN(C)C1CN2Cc1ccccc1 |w:5.4,9.10,TLB:1:2:11.10:6.7,12:11:4.3.2:6.7,8:7:11.10:4.3.2|
Show InChI InChI=1S/C16H24N2O/c1-17-11-14-8-9-16(19-2)15(17)12-18(14)10-13-6-4-3-5-7-13/h3-7,14-16H,8-12H2,1-2H3/t14?,15?,16-/m1/s1
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 1.35E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210187
PNG
(6-benzyl-8-butyl-6,8-diaza-bicyclo[3.2.2]nonan-2-o...)
Show SMILES CCCCN1CC2CCC(O)C1CN2Cc1ccccc1 |w:6.6,11.12,9.9,TLB:3:4:13.12:7.8.9,THB:14:13:7.8.9:5.4,TEB:10:9:13.12:5.4|
Show InChI InChI=1S/C18H28N2O/c1-2-3-11-19-13-16-9-10-18(21)17(19)14-20(16)12-15-7-5-4-6-8-15/h4-8,16-18,21H,2-3,9-14H2,1H3
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 1.60E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210191
PNG
(6-benzyl-2-(benzyloxy)-8-phenethyl-6,8-diaza-bicyc...)
Show SMILES C(Cc1ccccc1)N1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:22.25,13.14,10.11,TLB:0:8:24.23:11.12.13,THB:25:24:11.12.13:9.8,TEB:14:13:24.23:9.8|
Show InChI InChI=1S/C29H34N2O/c1-4-10-24(11-5-1)18-19-30-21-27-16-17-29(32-23-26-14-8-3-9-15-26)28(30)22-31(27)20-25-12-6-2-7-13-25/h1-15,27-29H,16-23H2
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 2.23E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210188
PNG
((1R,2R,5S )-6-benzyl-8-methyl-6,8-diazabicyclo[3.2...)
Show SMILES CN1CC2CC[C@H](O)C1CN2Cc1ccccc1 |w:3.3,8.9,TLB:7:6:10.9:2.1,0:1:10.9:4.5.6,THB:11:10:4.5.6:2.1|
Show InChI InChI=1S/C15H22N2O/c1-16-10-13-7-8-15(18)14(16)11-17(13)9-12-5-3-2-4-6-12/h2-6,13-15,18H,7-11H2,1H3/t13?,14?,15-/m0/s1
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 2.40E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210183
PNG
((1R,2S,5S )-6-Benzyl-8-(2-phenylethyl)-6,8-diazabi...)
Show SMILES O[C@@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
Show InChI InChI=1S/C22H28N2O/c25-22-12-11-20-16-23(14-13-18-7-3-1-4-8-18)21(22)17-24(20)15-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20?,21?,22-/m1/s1
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 2.46E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50210181
PNG
(6-benzyl-2-(benzyloxy)-8-butyl-6,8-diaza-bicyclo[3...)
Show SMILES CCCCN1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:18.20,9.9,6.6,TLB:3:4:20.19:7.8.9,THB:21:20:7.8.9:5.4,TEB:10:9:20.19:5.4|
Show InChI InChI=1S/C25H34N2O/c1-2-3-16-26-18-23-14-15-25(28-20-22-12-8-5-9-13-22)24(26)19-27(23)17-21-10-6-4-7-11-21/h4-13,23-25H,2-3,14-20H2,1H3
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 3.32E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210192
PNG
((1R,5S )-6-benzyl-8-methyl-6,8-diazabicyclo[3.2.2]...)
Show SMILES COC1(CCC2CN(C)C1CN2Cc1ccccc1)OC |w:5.4,9.10,TLB:12:11:4.3.2:6.7,8:7:11.10:4.3.2|
Show InChI InChI=1S/C17H26N2O2/c1-18-12-15-9-10-17(20-2,21-3)16(18)13-19(15)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
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 3.50E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210186
PNG
((1R,2R,5S )-6-benzyl-2-methoxy-8-methyl-6,8-diazab...)
Show SMILES CO[C@@H]1CCC2CN(C)C1CN2Cc1ccccc1 |w:5.4,9.10,TLB:1:2:11.10:6.7,12:11:4.3.2:6.7,8:7:11.10:4.3.2|
Show InChI InChI=1S/C16H24N2O/c1-17-11-14-8-9-16(19-2)15(17)12-18(14)10-13-6-4-3-5-7-13/h3-7,14-16H,8-12H2,1-2H3/t14?,15?,16-/m1/s1
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 3.59E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50210184
PNG
((1R,2R,5S )-6-benzyl-8-(2-phenylethyl)-6,8-diazabi...)
Show SMILES O[C@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
Show InChI InChI=1S/C22H28N2O/c25-22-12-11-20-16-23(14-13-18-7-3-1-4-8-18)21(22)17-24(20)15-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20?,21?,22-/m0/s1
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 4.05E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50210183
PNG
((1R,2S,5S )-6-Benzyl-8-(2-phenylethyl)-6,8-diazabi...)
Show SMILES O[C@@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
Show InChI InChI=1S/C22H28N2O/c25-22-12-11-20-16-23(14-13-18-7-3-1-4-8-18)21(22)17-24(20)15-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20?,21?,22-/m1/s1
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 4.96E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50210194
PNG
((1R,2S,5S )-6-Benzyl-8-methyl-6,8-diazabicyclo-[3....)
Show SMILES CN1CC2CC[C@@H](O)C1CN2Cc1ccccc1 |w:3.3,8.9,TLB:7:6:10.9:2.1,0:1:10.9:4.5.6,THB:11:10:4.5.6:2.1|
Show InChI InChI=1S/C15H22N2O/c1-16-10-13-7-8-15(18)14(16)11-17(13)9-12-5-3-2-4-6-12/h2-6,13-15,18H,7-11H2,1H3/t13?,14?,15-/m1/s1
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 4.97E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210182
PNG
(6-benzyl-2-methoxy-8-phenethyl-6,8-diaza-bicyclo[3...)
Show SMILES COC1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:16.18,2.1,5.4,TLB:19:18:4.3.2:6.7,8:7:18.17:4.3.2,TEB:1:2:18.17:6.7|
Show InChI InChI=1S/C23H30N2O/c1-26-23-13-12-21-17-24(15-14-19-8-4-2-5-9-19)22(23)18-25(21)16-20-10-6-3-7-11-20/h2-11,21-23H,12-18H2,1H3
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 5.02E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50210192
PNG
((1R,5S )-6-benzyl-8-methyl-6,8-diazabicyclo[3.2.2]...)
Show SMILES COC1(CCC2CN(C)C1CN2Cc1ccccc1)OC |w:5.4,9.10,TLB:12:11:4.3.2:6.7,8:7:11.10:4.3.2|
Show InChI InChI=1S/C17H26N2O2/c1-18-12-15-9-10-17(20-2,21-3)16(18)13-19(15)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane

Eur J Med Chem 42: 1247-62 (2007)


Article DOI: 10.1016/j.ejmech.2007.02.005
BindingDB Entry DOI: 10.7270/Q2BP03MX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%