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Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50008040   
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-type opioid receptor


(Rattus norvegicus (rat))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515052
PNG
(CHEMBL4575678)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C49H53N7O7/c1-32(54-48(62)41(50)27-34-21-23-36(57)24-22-34)47(61)52-30-45(59)55-42(28-33-13-4-2-5-14-33)49(63)53-29-44(58)51-25-10-3-11-26-56-31-40(38-18-8-9-20-43(38)56)46(60)39-19-12-16-35-15-6-7-17-37(35)39/h2,4-9,12-24,31-32,41-42,57H,3,10-11,25-30,50H2,1H3,(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)/t32-,41+,42+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50353747
PNG
(CHEMBL561013 | JWH-018)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50353747
PNG
(CHEMBL561013 | JWH-018)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
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3.40n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US1184575, oxycodone | US9...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515047
PNG
(CHEMBL4526969)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C47H51N5O7/c1-51-26-22-46-42-31-18-19-38(57-2)44(42)59-45(46)36(20-21-47(46,56)39(51)27-31)50-58-29-41(54)49-24-23-48-40(53)17-4-3-9-25-52-28-35(33-14-7-8-16-37(33)52)43(55)34-15-10-12-30-11-5-6-13-32(30)34/h5-8,10-16,18-19,28,39,45,56H,3-4,9,17,20-27,29H2,1-2H3,(H,48,53)(H,49,54)/b50-36-/t39-,45+,46+,47-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515051
PNG
(CHEMBL4439431)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1
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12n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515048
PNG
(CHEMBL4556031)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCN)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C22H30N4O5/c1-26-10-7-21-18-13-3-4-15(29-2)19(18)31-20(21)14(5-6-22(21,28)16(26)11-13)25-30-12-17(27)24-9-8-23/h3-4,16,20,28H,5-12,23H2,1-2H3,(H,24,27)/b25-14-/t16-,20+,21+,22-/m1/s1
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17n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515051
PNG
(CHEMBL4439431)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1
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18n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515058
PNG
(CHEMBL4441099)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C55H67N5O10/c1-59-28-24-54-50-39-20-21-46(65-2)52(50)70-53(54)44(22-23-55(54,64)47(59)35-39)58-69-37-49(62)57-26-12-30-67-32-34-68-33-31-66-29-11-25-56-48(61)19-4-3-9-27-60-36-43(41-16-7-8-18-45(41)60)51(63)42-17-10-14-38-13-5-6-15-40(38)42/h5-8,10,13-18,20-21,36,47,53,64H,3-4,9,11-12,19,22-35,37H2,1-2H3,(H,56,61)(H,57,62)/b58-44-/t47-,53+,54+,55-/m1/s1
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20n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515055
PNG
(CHEMBL4572221)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C51H57N7O7/c1-34(56-50(64)43(52)30-36-23-25-38(59)26-24-36)49(63)55-32-47(61)57-44(31-35-14-4-2-5-15-35)51(65)54-28-13-22-46(60)53-27-10-3-11-29-58-33-42(40-19-8-9-21-45(40)58)48(62)41-20-12-17-37-16-6-7-18-39(37)41/h2,4-9,12,14-21,23-26,33-34,43-44,59H,3,10-11,13,22,27-32,52H2,1H3,(H,53,60)(H,54,65)(H,55,63)(H,56,64)(H,57,61)/t34-,43+,44+/m1/s1
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20n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515059
PNG
(CHEMBL4528931)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(O)=O)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C20H24N2O6/c1-22-8-7-19-16-11-3-4-13(26-2)17(16)28-18(19)12(21-27-10-15(23)24)5-6-20(19,25)14(22)9-11/h3-4,14,18,25H,5-10H2,1-2H3,(H,23,24)/b21-12-/t14-,18+,19+,20-/m1/s1
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24n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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27n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515047
PNG
(CHEMBL4526969)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C47H51N5O7/c1-51-26-22-46-42-31-18-19-38(57-2)44(42)59-45(46)36(20-21-47(46,56)39(51)27-31)50-58-29-41(54)49-24-23-48-40(53)17-4-3-9-25-52-28-35(33-14-7-8-16-37(33)52)43(55)34-15-10-12-30-11-5-6-13-32(30)34/h5-8,10-16,18-19,28,39,45,56H,3-4,9,17,20-27,29H2,1-2H3,(H,48,53)(H,49,54)/b50-36-/t39-,45+,46+,47-/m1/s1
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33n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515051
PNG
(CHEMBL4439431)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1
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34n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515060
PNG
(CHEMBL4586173)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCN)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C26H38N4O5/c1-30-14-11-25-22-17-7-8-19(33-2)23(22)35-24(25)18(9-10-26(25,32)20(30)15-17)29-34-16-21(31)28-13-6-4-3-5-12-27/h7-8,20,24,32H,3-6,9-16,27H2,1-2H3,(H,28,31)/b29-18-/t20-,24+,25+,26-/m1/s1
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41n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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43n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515046
PNG
(CHEMBL4533639)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C50H55N7O7/c1-33(55-49(63)42(51)29-35-21-23-37(58)24-22-35)48(62)54-31-46(60)56-43(30-34-13-4-2-5-14-34)50(64)53-27-25-45(59)52-26-10-3-11-28-57-32-41(39-18-8-9-20-44(39)57)47(61)40-19-12-16-36-15-6-7-17-38(36)40/h2,4-9,12-24,32-33,42-43,58H,3,10-11,25-31,51H2,1H3,(H,52,59)(H,53,64)(H,54,62)(H,55,63)(H,56,60)/t33-,42+,43+/m1/s1
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48n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515049
PNG
(CHEMBL4456884)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C47H50N6O6/c1-31(51-46(58)40(48)27-33-21-23-35(54)24-22-33)45(57)50-29-43(55)52-41(28-32-13-4-2-5-14-32)47(59)49-25-10-3-11-26-53-30-39(37-18-8-9-20-42(37)53)44(56)38-19-12-16-34-15-6-7-17-36(34)38/h2,4-9,12-24,30-31,40-41,54H,3,10-11,25-29,48H2,1H3,(H,49,59)(H,50,57)(H,51,58)(H,52,55)/t31-,40+,41+/m1/s1
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50n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50515055
PNG
(CHEMBL4572221)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C51H57N7O7/c1-34(56-50(64)43(52)30-36-23-25-38(59)26-24-36)49(63)55-32-47(61)57-44(31-35-14-4-2-5-15-35)51(65)54-28-13-22-46(60)53-27-10-3-11-29-58-33-42(40-19-8-9-21-45(40)58)48(62)41-20-12-17-37-16-6-7-18-39(37)41/h2,4-9,12,14-21,23-26,33-34,43-44,59H,3,10-11,13,22,27-32,52H2,1H3,(H,53,60)(H,54,65)(H,55,63)(H,56,64)(H,57,61)/t34-,43+,44+/m1/s1
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50n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515056
PNG
(CHEMBL4544265)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cc(Br)ccc12
Show InChI InChI=1S/C24H22BrNO/c1-2-3-6-14-26-16-22(21-15-18(25)12-13-23(21)26)24(27)20-11-7-9-17-8-4-5-10-19(17)20/h4-5,7-13,15-16H,2-3,6,14H2,1H3
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59n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50515052
PNG
(CHEMBL4575678)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C49H53N7O7/c1-32(54-48(62)41(50)27-34-21-23-36(57)24-22-34)47(61)52-30-45(59)55-42(28-33-13-4-2-5-14-33)49(63)53-29-44(58)51-25-10-3-11-26-56-31-40(38-18-8-9-20-43(38)56)46(60)39-19-12-16-35-15-6-7-17-37(35)39/h2,4-9,12-24,31-32,41-42,57H,3,10-11,25-30,50H2,1H3,(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)/t32-,41+,42+/m1/s1
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63n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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69n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515045
PNG
(CHEMBL4452224)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCOCCOCCOCCCN)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C30H46N4O8/c1-34-12-9-29-26-21-5-6-23(37-2)27(26)42-28(29)22(7-8-30(29,36)24(34)19-21)33-41-20-25(35)32-11-4-14-39-16-18-40-17-15-38-13-3-10-31/h5-6,24,28,36H,3-4,7-20,31H2,1-2H3,(H,32,35)/b33-22-/t24-,28+,29+,30-/m1/s1
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74n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515058
PNG
(CHEMBL4441099)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C55H67N5O10/c1-59-28-24-54-50-39-20-21-46(65-2)52(50)70-53(54)44(22-23-55(54,64)47(59)35-39)58-69-37-49(62)57-26-12-30-67-32-34-68-33-31-66-29-11-25-56-48(61)19-4-3-9-27-60-36-43(41-16-7-8-18-45(41)60)51(63)42-17-10-14-38-13-5-6-15-40(38)42/h5-8,10,13-18,20-21,36,47,53,64H,3-4,9,11-12,19,22-35,37H2,1-2H3,(H,56,61)(H,57,62)/b58-44-/t47-,53+,54+,55-/m1/s1
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78n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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82n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515055
PNG
(CHEMBL4572221)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C51H57N7O7/c1-34(56-50(64)43(52)30-36-23-25-38(59)26-24-36)49(63)55-32-47(61)57-44(31-35-14-4-2-5-15-35)51(65)54-28-13-22-46(60)53-27-10-3-11-29-58-33-42(40-19-8-9-21-45(40)58)48(62)41-20-12-17-37-16-6-7-18-39(37)41/h2,4-9,12,14-21,23-26,33-34,43-44,59H,3,10-11,13,22,27-32,52H2,1H3,(H,53,60)(H,54,65)(H,55,63)(H,56,64)(H,57,61)/t34-,43+,44+/m1/s1
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92n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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107n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515059
PNG
(CHEMBL4528931)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(O)=O)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C20H24N2O6/c1-22-8-7-19-16-11-3-4-13(26-2)17(16)28-18(19)12(21-27-10-15(23)24)5-6-20(19,25)14(22)9-11/h3-4,14,18,25H,5-10H2,1-2H3,(H,23,24)/b21-12-/t14-,18+,19+,20-/m1/s1
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110n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515052
PNG
(CHEMBL4575678)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C49H53N7O7/c1-32(54-48(62)41(50)27-34-21-23-36(57)24-22-34)47(61)52-30-45(59)55-42(28-33-13-4-2-5-14-33)49(63)53-29-44(58)51-25-10-3-11-26-56-31-40(38-18-8-9-20-43(38)56)46(60)39-19-12-16-35-15-6-7-17-37(35)39/h2,4-9,12-24,31-32,41-42,57H,3,10-11,25-30,50H2,1H3,(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)/t32-,41+,42+/m1/s1
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134n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515054
PNG
(CHEMBL4557161)
Show SMILES CC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19(29)27-16-7-2-8-17-28-18-24(22-13-5-6-15-25(22)28)26(30)23-14-9-11-20-10-3-4-12-21(20)23/h3-6,9-15,18H,2,7-8,16-17H2,1H3,(H,27,29)
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145n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515054
PNG
(CHEMBL4557161)
Show SMILES CC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19(29)27-16-7-2-8-17-28-18-24(22-13-5-6-15-25(22)28)26(30)23-14-9-11-20-10-3-4-12-21(20)23/h3-6,9-15,18H,2,7-8,16-17H2,1H3,(H,27,29)
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149n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50515046
PNG
(CHEMBL4533639)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C50H55N7O7/c1-33(55-49(63)42(51)29-35-21-23-37(58)24-22-35)48(62)54-31-46(60)56-43(30-34-13-4-2-5-14-34)50(64)53-27-25-45(59)52-26-10-3-11-28-57-32-41(39-18-8-9-20-44(39)57)47(61)40-19-12-16-36-15-6-7-17-38(36)40/h2,4-9,12-24,32-33,42-43,58H,3,10-11,25-31,51H2,1H3,(H,52,59)(H,53,64)(H,54,62)(H,55,63)(H,56,60)/t33-,42+,43+/m1/s1
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151n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50515051
PNG
(CHEMBL4439431)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1
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172n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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173n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515058
PNG
(CHEMBL4441099)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C55H67N5O10/c1-59-28-24-54-50-39-20-21-46(65-2)52(50)70-53(54)44(22-23-55(54,64)47(59)35-39)58-69-37-49(62)57-26-12-30-67-32-34-68-33-31-66-29-11-25-56-48(61)19-4-3-9-27-60-36-43(41-16-7-8-18-45(41)60)51(63)42-17-10-14-38-13-5-6-15-40(38)42/h5-8,10,13-18,20-21,36,47,53,64H,3-4,9,11-12,19,22-35,37H2,1-2H3,(H,56,61)(H,57,62)/b58-44-/t47-,53+,54+,55-/m1/s1
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183n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50515058
PNG
(CHEMBL4441099)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C55H67N5O10/c1-59-28-24-54-50-39-20-21-46(65-2)52(50)70-53(54)44(22-23-55(54,64)47(59)35-39)58-69-37-49(62)57-26-12-30-67-32-34-68-33-31-66-29-11-25-56-48(61)19-4-3-9-27-60-36-43(41-16-7-8-18-45(41)60)51(63)42-17-10-14-38-13-5-6-15-40(38)42/h5-8,10,13-18,20-21,36,47,53,64H,3-4,9,11-12,19,22-35,37H2,1-2H3,(H,56,61)(H,57,62)/b58-44-/t47-,53+,54+,55-/m1/s1
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186n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515050
PNG
(CHEMBL4443479)
Show SMILES NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H24N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16,25H2
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190n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515046
PNG
(CHEMBL4533639)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C50H55N7O7/c1-33(55-49(63)42(51)29-35-21-23-37(58)24-22-35)48(62)54-31-46(60)56-43(30-34-13-4-2-5-14-34)50(64)53-27-25-45(59)52-26-10-3-11-28-57-32-41(39-18-8-9-20-44(39)57)47(61)40-19-12-16-36-15-6-7-17-38(36)40/h2,4-9,12-24,32-33,42-43,58H,3,10-11,25-31,51H2,1H3,(H,52,59)(H,53,64)(H,54,62)(H,55,63)(H,56,60)/t33-,42+,43+/m1/s1
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190n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515053
PNG
(CHEMBL4467029)
Show SMILES OC(=O)CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23NO3/c27-24(28)15-2-1-7-16-26-17-22(20-12-5-6-14-23(20)26)25(29)21-13-8-10-18-9-3-4-11-19(18)21/h3-6,8-14,17H,1-2,7,15-16H2,(H,27,28)
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205n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515049
PNG
(CHEMBL4456884)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C47H50N6O6/c1-31(51-46(58)40(48)27-33-21-23-35(54)24-22-33)45(57)50-29-43(55)52-41(28-32-13-4-2-5-14-32)47(59)49-25-10-3-11-26-53-30-39(37-18-8-9-20-42(37)53)44(56)38-19-12-16-34-15-6-7-17-36(34)38/h2,4-9,12-24,30-31,40-41,54H,3,10-11,25-29,48H2,1H3,(H,49,59)(H,50,57)(H,51,58)(H,52,55)/t31-,40+,41+/m1/s1
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214n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50515049
PNG
(CHEMBL4456884)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C47H50N6O6/c1-31(51-46(58)40(48)27-33-21-23-35(54)24-22-33)45(57)50-29-43(55)52-41(28-32-13-4-2-5-14-32)47(59)49-25-10-3-11-26-53-30-39(37-18-8-9-20-42(37)53)44(56)38-19-12-16-34-15-6-7-17-36(34)38/h2,4-9,12-24,30-31,40-41,54H,3,10-11,25-29,48H2,1H3,(H,49,59)(H,50,57)(H,51,58)(H,52,55)/t31-,40+,41+/m1/s1
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231n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515053
PNG
(CHEMBL4467029)
Show SMILES OC(=O)CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23NO3/c27-24(28)15-2-1-7-16-26-17-22(20-12-5-6-14-23(20)26)25(29)21-13-8-10-18-9-3-4-11-19(18)21/h3-6,8-14,17H,1-2,7,15-16H2,(H,27,28)
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247n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515052
PNG
(CHEMBL4575678)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C49H53N7O7/c1-32(54-48(62)41(50)27-34-21-23-36(57)24-22-34)47(61)52-30-45(59)55-42(28-33-13-4-2-5-14-33)49(63)53-29-44(58)51-25-10-3-11-26-56-31-40(38-18-8-9-20-43(38)56)46(60)39-19-12-16-35-15-6-7-17-37(35)39/h2,4-9,12-24,31-32,41-42,57H,3,10-11,25-30,50H2,1H3,(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)/t32-,41+,42+/m1/s1
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251n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515047
PNG
(CHEMBL4526969)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C47H51N5O7/c1-51-26-22-46-42-31-18-19-38(57-2)44(42)59-45(46)36(20-21-47(46,56)39(51)27-31)50-58-29-41(54)49-24-23-48-40(53)17-4-3-9-25-52-28-35(33-14-7-8-16-37(33)52)43(55)34-15-10-12-30-11-5-6-13-32(30)34/h5-8,10-16,18-19,28,39,45,56H,3-4,9,17,20-27,29H2,1-2H3,(H,48,53)(H,49,54)/b50-36-/t39-,45+,46+,47-/m1/s1
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255n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515051
PNG
(CHEMBL4439431)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1
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263n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515050
PNG
(CHEMBL4443479)
Show SMILES NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H24N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16,25H2
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269n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50515052
PNG
(CHEMBL4575678)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C49H53N7O7/c1-32(54-48(62)41(50)27-34-21-23-36(57)24-22-34)47(61)52-30-45(59)55-42(28-33-13-4-2-5-14-33)49(63)53-29-44(58)51-25-10-3-11-26-56-31-40(38-18-8-9-20-43(38)56)46(60)39-19-12-16-35-15-6-7-17-37(35)39/h2,4-9,12-24,31-32,41-42,57H,3,10-11,25-30,50H2,1H3,(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)/t32-,41+,42+/m1/s1
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317n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US1184575, oxycodone | US9...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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325n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8
More data for this
Ligand-Target Pair
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