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Compile Data Set for Download or QSAR

Found 4229 hits with Last Name = 'meyer' and Initial = 'j'   
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00320n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50451302
PNG
(CHEMBL2115245)
Show SMILES [H][C@@]12Cc3cc(O)ccc3[C@]3(CCCC[C@@]13[H])CCN2C\C=C\I |THB:20:19:15:9.3.2|
Show InChI InChI=1S/C19H24INO/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h3,5-6,9,12,17-18,22H,1-2,4,7-8,10-11,13H2/b9-3+/t17-,18+,19-/m0/s1
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0.00480n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 |TLB:16:15:5.22.4:7|
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 |TLB:16:15:5.22.4:7|
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane


J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303629
PNG
(17-(Cyclopropylmethyl)-N-(4-methoxyphenyl)morphina...)
Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O/c1-30-23-11-9-21(10-12-23)28-22-8-7-20-16-26-24-4-2-3-13-27(24,25(20)17-22)14-15-29(26)18-19-5-6-19/h7-12,17,19,24,26,28H,2-6,13-16,18H2,1H3/t24-,26+,27+/m0/s1
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0.0260n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50303629
PNG
(17-(Cyclopropylmethyl)-N-(4-methoxyphenyl)morphina...)
Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O/c1-30-23-11-9-21(10-12-23)28-22-8-7-20-16-26-24-4-2-3-13-27(24,25(20)17-22)14-15-29(26)18-19-5-6-19/h7-12,17,19,24,26,28H,2-6,13-16,18H2,1H3/t24-,26+,27+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
BindingDB Entry DOI: 10.7270/Q2028SJ1
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)


Article DOI: 10.1016/j.bmc.2007.03.076
BindingDB Entry DOI: 10.7270/Q2D50MN1
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
BindingDB Entry DOI: 10.7270/Q2N58N4X
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368145
PNG
(CHEMBL1788212)
Show SMILES Oc1cccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C19H19NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h2-8,16,21H,1,9-12H2/t16-/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL




J Med Chem 34: 24-8 (1991)


BindingDB Entry DOI: 10.7270/Q24Q7VKQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50451302
PNG
(CHEMBL2115245)
Show SMILES [H][C@@]12Cc3cc(O)ccc3[C@]3(CCCC[C@@]13[H])CCN2C\C=C\I |THB:20:19:15:9.3.2|
Show InChI InChI=1S/C19H24INO/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h3,5-6,9,12,17-18,22H,1-2,4,7-8,10-11,13H2/b9-3+/t17-,18+,19-/m0/s1
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0.0370n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50204451
PNG
(CHEMBL397035 | MCL-429)
Show SMILES O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:25:24:13.29.14:16,30:29:16:24.22.23|
Show InChI InChI=1S/C27H32N2O2/c30-26(28-21-6-2-1-3-7-21)31-22-12-11-20-16-25-23-8-4-5-13-27(23,24(20)17-22)14-15-29(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25H,4-5,8-10,13-16,18H2,(H,28,30)
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0.0460n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50303630
PNG
(17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine |...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r|
Show InChI InChI=1S/C26H32N2/c1-2-6-21(7-3-1)27-22-12-11-20-16-25-23-8-4-5-13-26(23,24(20)17-22)14-15-28(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25,27H,4-5,8-10,13-16,18H2/t23-,25+,26+/m0/s1
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0.0470n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50272298
PNG
((-)-N-cyclobutylmethylmorphinan-3-yl-14-ol phenoxy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)COc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H35NO4/c31-27(20-33-23-9-2-1-3-10-23)34-24-12-11-22-17-26-29(32)14-5-4-13-28(29,25(22)18-24)15-16-30(26)19-21-7-6-8-21/h1-3,9-12,18,21,26,32H,4-8,13-17,19-20H2/t26-,28+,29-/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
BindingDB Entry DOI: 10.7270/Q2K07423
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50143602
PNG
(20-cyclopropylmethyl-(1R,12R)-7-thia-5,20-diazapen...)
Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15?,18-,21-/m1/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
BindingDB Entry DOI: 10.7270/Q2N58N4X
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)


Article DOI: 10.1016/j.bmc.2007.03.076
BindingDB Entry DOI: 10.7270/Q2D50MN1
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
BindingDB Entry DOI: 10.7270/Q2KW5GB1
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
BindingDB Entry DOI: 10.7270/Q2KW5GB1
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
BindingDB Entry DOI: 10.7270/Q2028SJ1
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 7389-96 (2009)


Article DOI: 10.1021/jm900379p
BindingDB Entry DOI: 10.7270/Q29P31Q8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50204450
PNG
(CHEMBL242048 | MCL-428)
Show SMILES O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:25:24:13.30.14:16,31:30:16:24.22.23|
Show InChI InChI=1S/C28H34N2O2/c31-27(29-22-9-2-1-3-10-22)32-23-13-12-21-17-26-24-11-4-5-14-28(24,25(21)18-23)15-16-30(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26H,4-8,11,14-17,19H2,(H,29,31)
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0.0510n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.0520n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane


J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM52987
PNG
((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1
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0.0530n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0530n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane


J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0530n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 in guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM52987
PNG
((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1
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0.0530n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radioligand


J Med Chem 33: 1800-5 (1990)


BindingDB Entry DOI: 10.7270/Q2K35SMD
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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0.0600n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50106857
PNG
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7|
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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0.0600n/an/an/an/an/an/an/an/a



Alcohol and Drug Abuse Research Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]- paroxetine from Serotonin transporter in rat cerebral cortical homogenate


Bioorg Med Chem Lett 11: 3049-53 (2001)


BindingDB Entry DOI: 10.7270/Q23N22PN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50137996
PNG
(3-Carboxamido-N-cyclopropylmethylmorphinan | CHEMB...)
Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17-,19+,21+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.0600n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272298
PNG
((-)-N-cyclobutylmethylmorphinan-3-yl-14-ol phenoxy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)COc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H35NO4/c31-27(20-33-23-9-2-1-3-10-23)34-24-12-11-22-17-26-29(32)14-5-4-13-28(29,25(22)18-24)15-16-30(26)19-21-7-6-8-21/h1-3,9-12,18,21,26,32H,4-8,13-17,19-20H2/t26-,28+,29-/m1/s1
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0.0610n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
BindingDB Entry DOI: 10.7270/Q2K07423
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)


Article DOI: 10.1016/j.bmc.2007.03.076
BindingDB Entry DOI: 10.7270/Q2D50MN1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
BindingDB Entry DOI: 10.7270/Q2N58N4X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
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