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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50007535   
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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0.340n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50510200
PNG
(CHEMBL4577032)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50510200
PNG
(CHEMBL4577032)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50510201
PNG
(CHEMBL4574757)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50510200
PNG
(CHEMBL4577032)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50510201
PNG
(CHEMBL4574757)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1
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151n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50510201
PNG
(CHEMBL4574757)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1
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236n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50510200
PNG
(CHEMBL4577032)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1
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n/an/an/an/a 4.70n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269637
PNG
(CHEMBL4102093)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/s1
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n/an/an/an/a 95n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/an/a 1.38E+3n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269637
PNG
(CHEMBL4102093)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/s1
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n/an/an/an/a 13n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269637
PNG
(CHEMBL4102093)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/s1
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n/an/an/an/a 2.24E+3n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to beta-arrestin-2 assessed a...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50510200
PNG
(CHEMBL4577032)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1
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n/an/an/an/a 32n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269634
PNG
(CHEMBL4079574)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21+,22+/m0/s1
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n/an/an/an/a 6.60n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50510200
PNG
(CHEMBL4577032)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1
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n/an/an/an/a 1.86E+3n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to beta-arrestin-2 assessed a...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269634
PNG
(CHEMBL4079574)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21+,22+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/an/a 1.38E+3n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to MOR/beta-arrestin-2 assess...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50510200
PNG
(CHEMBL4577032)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1
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n/an/an/an/a 151n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to MOR/beta-arrestin-2 assess...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269637
PNG
(CHEMBL4102093)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CC(OC)c1ccccc1)[C@H]2C |r,THB:15:14:25:9.3.2,8:9:25:14.12.13|
Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22?,23+/m0/s1
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n/an/an/an/a 275n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to MOR/beta-arrestin-2 assess...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/an/a 129n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269638
PNG
(CHEMBL4066846)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1
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n/an/an/an/a 22n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269638
PNG
(CHEMBL4066846)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](O)c1ccccc1)[C@H]2C |r,THB:8:9:24:14.12.13,15:14:24:9.3.2|
Show InChI InChI=1S/C22H27NO2/c1-15-20-12-17-8-9-18(24)13-19(17)22(15,2)10-11-23(20)14-21(25)16-6-4-3-5-7-16/h3-9,13,15,20-21,24-25H,10-12,14H2,1-2H3/t15-,20+,21-,22+/m0/s1
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n/an/an/an/a 59n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increas...


Eur J Med Chem 168: 189-198 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.043
BindingDB Entry DOI: 10.7270/Q2T43XD4
More data for this
Ligand-Target Pair