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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 369.3
BDBM50000780
Purchase
Wt: 465.6
BDBM50130563
Purchase
Wt: 511.6
BDBM50062532
Wt: 525.6
BDBM50062533
Wt: 511.6
BDBM50062535
Wt: 525.6
BDBM50062536

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 44 hits in this display   
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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor in guinea pig caudate assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human recombinant mu opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.0591n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 54: 8000-12 (2011)


Article DOI: 10.1021/jm200789r
BindingDB Entry DOI: 10.7270/Q29C6XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound for Opioid receptor kappa 1 was determined using [3H]U-69593 as radioligand from guinea pig caudate


J Med Chem 47: 1070-3 (2004)


Article DOI: 10.1021/jm030467v
BindingDB Entry DOI: 10.7270/Q2BV7HC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa opioid receptor


(Rattus norvegicus (rat))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa opioid receptor


(Rattus norvegicus (rat))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human recombinant mu opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



National Institute of Digestive

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards kappa opioid receptor using [3H](-)-U-69,593 in guinea pig ileum


J Med Chem 32: 1996-2002 (1989)


Article DOI: 10.1021/jm00128a050
BindingDB Entry DOI: 10.7270/Q2ZG6STP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.960n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity at K opioid receptor on membranes prepared from guinea pig cerebellum by [3H]- 69593 displacement.


Bioorg Med Chem Lett 4: 677-682 (1994)


Article DOI: 10.1016/S0960-894X(01)80179-7
BindingDB Entry DOI: 10.7270/Q28C9WRX
More data for this
Ligand-Target Pair
Kappa opioid receptor


(Rattus norvegicus (rat))
BDBM50062533
PNG
(CHEMBL3397594)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCCF
Show InChI InChI=1S/C31H44FN3O3/c1-21(2)28(20-34-14-11-31(4,22(3)18-34)25-7-5-8-26(36)17-25)33-30(38)29-16-23-9-10-27(37)15-24(23)19-35(29)13-6-12-32/h5,7-10,15,17,21-22,28-29,36-37H,6,11-14,16,18-20H2,1-4H3,(H,33,38)/t22-,28+,29+,31+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor (unknown origin)


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor in guinea pig caudate assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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3.73n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound for Opioid receptor mu 1 was determined using [3H]DAMGO as radioligand from rat brain tissue


J Med Chem 47: 1070-3 (2004)


Article DOI: 10.1021/jm030467v
BindingDB Entry DOI: 10.7270/Q2BV7HC4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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4n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor (unknown origin)


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Kappa opioid receptor


(Rattus norvegicus (rat))
BDBM50062532
PNG
(CHEMBL3397593)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCF
Show InChI InChI=1S/C30H42FN3O3/c1-20(2)27(19-33-12-10-30(4,21(3)17-33)24-6-5-7-25(35)16-24)32-29(37)28-15-22-8-9-26(36)14-23(22)18-34(28)13-11-31/h5-9,14,16,20-21,27-28,35-36H,10-13,15,17-19H2,1-4H3,(H,32,37)/t21-,27+,28+,30+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Kappa opioid receptor


(Rattus norvegicus (rat))
BDBM50062536
PNG
(CHEMBL3397596)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCCF)cc2CN1
Show InChI InChI=1S/C31H44FN3O3/c1-21(2)29(20-35-13-11-31(4,22(3)19-35)25-7-5-8-26(36)17-25)34-30(37)28-16-23-9-10-27(38-14-6-12-32)15-24(23)18-33-28/h5,7-10,15,17,21-22,28-29,33,36H,6,11-14,16,18-20H2,1-4H3,(H,34,37)/t22-,28+,29+,31+/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 54: 8000-12 (2011)


Article DOI: 10.1021/jm200789r
BindingDB Entry DOI: 10.7270/Q29C6XVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50062532
PNG
(CHEMBL3397593)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCF
Show InChI InChI=1S/C30H42FN3O3/c1-20(2)27(19-33-12-10-30(4,21(3)17-33)24-6-5-7-25(35)16-24)32-29(37)28-15-22-8-9-26(36)14-23(22)18-34(28)13-11-31/h5-9,14,16,20-21,27-28,35-36H,10-13,15,17-19H2,1-4H3,(H,32,37)/t21-,27+,28+,30+/m0/s1
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13n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50062533
PNG
(CHEMBL3397594)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCCF
Show InChI InChI=1S/C31H44FN3O3/c1-21(2)28(20-34-14-11-31(4,22(3)18-34)25-7-5-8-26(36)17-25)33-30(38)29-16-23-9-10-27(37)15-24(23)19-35(29)13-6-12-32/h5,7-10,15,17,21-22,28-29,36-37H,6,11-14,16,18-20H2,1-4H3,(H,33,38)/t22-,28+,29+,31+/m0/s1
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20n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Kappa opioid receptor


(Rattus norvegicus (rat))
BDBM50062535
PNG
(CHEMBL3397595)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1
Show InChI InChI=1S/C30H42FN3O3/c1-20(2)28(19-34-12-10-30(4,21(3)18-34)24-6-5-7-25(35)16-24)33-29(36)27-15-22-8-9-26(37-13-11-31)14-23(22)17-32-27/h5-9,14,16,20-21,27-28,32,35H,10-13,15,17-19H2,1-4H3,(H,33,36)/t21-,27+,28+,30+/m0/s1
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24n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor (unknown origin)


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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36n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human recombinant mu opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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44n/an/an/an/an/an/an/an/a



National Institute of Digestive

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 1996-2002 (1989)


Article DOI: 10.1021/jm00128a050
BindingDB Entry DOI: 10.7270/Q2ZG6STP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50062536
PNG
(CHEMBL3397596)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCCF)cc2CN1
Show InChI InChI=1S/C31H44FN3O3/c1-21(2)29(20-35-13-11-31(4,22(3)19-35)25-7-5-8-26(36)17-25)34-30(37)28-16-23-9-10-27(38-14-6-12-32)15-24(23)18-33-28/h5,7-10,15,17,21-22,28-29,33,36H,6,11-14,16,18-20H2,1-4H3,(H,34,37)/t22-,28+,29+,31+/m0/s1
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58n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50062535
PNG
(CHEMBL3397595)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1
Show InChI InChI=1S/C30H42FN3O3/c1-20(2)28(19-34-12-10-30(4,21(3)18-34)24-6-5-7-25(35)16-24)33-29(36)27-15-22-8-9-26(37-13-11-31)14-23(22)17-32-27/h5-9,14,16,20-21,27-28,32,35H,10-13,15,17-19H2,1-4H3,(H,33,36)/t21-,27+,28+,30+/m0/s1
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63n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human recombinant mu opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50062532
PNG
(CHEMBL3397593)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCF
Show InChI InChI=1S/C30H42FN3O3/c1-20(2)27(19-33-12-10-30(4,21(3)17-33)24-6-5-7-25(35)16-24)32-29(37)28-15-22-8-9-26(36)14-23(22)18-34(28)13-11-31/h5-9,14,16,20-21,27-28,35-36H,10-13,15,17-19H2,1-4H3,(H,32,37)/t21-,27+,28+,30+/m0/s1
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73n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50062536
PNG
(CHEMBL3397596)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCCF)cc2CN1
Show InChI InChI=1S/C31H44FN3O3/c1-21(2)29(20-35-13-11-31(4,22(3)19-35)25-7-5-8-26(36)17-25)34-30(37)28-16-23-9-10-27(38-14-6-12-32)15-24(23)18-33-28/h5,7-10,15,17,21-22,28-29,33,36H,6,11-14,16,18-20H2,1-4H3,(H,34,37)/t22-,28+,29+,31+/m0/s1
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73n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50062535
PNG
(CHEMBL3397595)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1
Show InChI InChI=1S/C30H42FN3O3/c1-20(2)28(19-34-12-10-30(4,21(3)18-34)24-6-5-7-25(35)16-24)33-29(36)27-15-22-8-9-26(37-13-11-31)14-23(22)17-32-27/h5-9,14,16,20-21,27-28,32,35H,10-13,15,17-19H2,1-4H3,(H,33,36)/t21-,27+,28+,30+/m0/s1
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81n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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188n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human opioid delta receptor expressed in HEK293 cells after 120 mins by scintillation counting


J Med Chem 54: 8000-12 (2011)


Article DOI: 10.1021/jm200789r
BindingDB Entry DOI: 10.7270/Q29C6XVV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50062533
PNG
(CHEMBL3397594)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCCF
Show InChI InChI=1S/C31H44FN3O3/c1-21(2)28(20-34-14-11-31(4,22(3)18-34)25-7-5-8-26(36)17-25)33-30(38)29-16-23-9-10-27(37)15-24(23)19-35(29)13-6-12-32/h5,7-10,15,17,21-22,28-29,36-37H,6,11-14,16,18-20H2,1-4H3,(H,33,38)/t22-,28+,29+,31+/m0/s1
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254n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 mins


Eur J Med Chem 90: 742-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.016
BindingDB Entry DOI: 10.7270/Q2TQ636H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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301n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound for opioid receptor delta 1 was determined using [3H]DADLE as radioligand from rat brain tissue


J Med Chem 47: 1070-3 (2004)


Article DOI: 10.1021/jm030467v
BindingDB Entry DOI: 10.7270/Q2BV7HC4
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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301n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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340n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor (unknown origin)


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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594n/an/an/an/an/an/an/an/a



National Institute of Digestive

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards sigma opioid receptor using [3H](+)-3-PPP in guinea pig ileum


J Med Chem 32: 1996-2002 (1989)


Article DOI: 10.1021/jm00128a050
BindingDB Entry DOI: 10.7270/Q2ZG6STP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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8.82E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-astemizole from human ERG


Bioorg Med Chem 23: 6379-88 (2015)


Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
BindingDB Entry DOI: 10.7270/Q2K35VNP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
BindingDB Entry DOI: 10.7270/Q2K35VNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Activity at kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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n/an/an/an/a 46n/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


(Homo sapiens (human))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m0/s1
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n/an/an/an/a 46n/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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
BindingDB Entry DOI: 10.7270/Q2K35VNP
More data for this
Ligand-Target Pair