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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'han' and Initial = 'cz'   
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))
BDBM50545388
PNG
(CHEMBL4647561)
Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H37N7O7/c1-18(30(35)43)29(28-8-5-13-47-28)40-32(45)26(15-21-16-37-25-7-4-3-6-23(21)25)38-33(46)27(17-36-19(2)41)39-31(44)24(34)14-20-9-11-22(42)12-10-20/h3-13,16,24,26-27,29,37,42H,1,14-15,17,34H2,2H3,(H2,35,43)(H,36,41)(H,38,46)(H,39,44)(H,40,45)/t24-,26-,27+,29+/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545392
PNG
(CHEMBL4642564)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H41N9O6/c1-19(30(36)45)29(28-9-5-15-49-28)43-33(48)27(17-21-18-40-25-7-3-2-6-23(21)25)42-32(47)26(8-4-14-39-34(37)38)41-31(46)24(35)16-20-10-12-22(44)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,40,44H,1,4,8,14,16-17,35H2,(H2,36,45)(H,41,46)(H,42,47)(H,43,48)(H4,37,38,39)/t24-,26+,27-,29+/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545394
PNG
(CHEMBL4640310)
Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C31H35N7O6/c1-17(28(34)40)27(26-7-4-12-44-26)38-30(42)24(14-19-16-35-23-6-3-2-5-21(19)23)36-31(43)25(15-32)37-29(41)22(33)13-18-8-10-20(39)11-9-18/h2-12,16,22,24-25,27,35,39H,1,13-15,32-33H2,(H2,34,40)(H,36,43)(H,37,41)(H,38,42)/t22-,24-,25+,27+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545390
PNG
(CHEMBL4633024)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H40N8O7/c1-19(30(36)44)29(28-9-5-15-49-28)42-33(47)27(17-21-18-39-25-7-3-2-6-23(21)25)41-32(46)26(8-4-14-38-34(37)48)40-31(45)24(35)16-20-10-12-22(43)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,39,43H,1,4,8,14,16-17,35H2,(H2,36,44)(H,40,45)(H,41,46)(H,42,47)(H3,37,38,48)/t24-,26+,27-,29+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545386
PNG
(CHEMBL4644694)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545389
PNG
(CHEMBL4646736)
Show SMILES CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C36H43N7O7/c1-21(33(38)46)32(31-11-7-17-50-31)43-36(49)30(19-24-20-40-28-9-4-3-8-26(24)28)42-35(48)29(10-5-6-16-39-22(2)44)41-34(47)27(37)18-23-12-14-25(45)15-13-23/h3-4,7-9,11-15,17,20,27,29-30,32,40,45H,1,5-6,10,16,18-19,37H2,2H3,(H2,38,46)(H,39,44)(H,41,47)(H,42,48)(H,43,49)/t27-,29+,30-,32+/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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18n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545387
PNG
(CHEMBL4645094)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H40N8O6/c1-19(28(34)42)27(26-10-6-16-46-26)40-31(45)25(18-20-7-3-2-4-8-20)39-30(44)24(9-5-15-37-32(35)36)38-29(43)23(33)17-21-11-13-22(41)14-12-21/h2-4,6-8,10-14,16,23-25,27,41H,1,5,9,15,17-18,33H2,(H2,34,42)(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/t23-,24+,25-,27+/m0/s1
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19n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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19n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545385
PNG
(CHEMBL4635430)
Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C31H36N6O7/c1-18(28(33)40)27(26-9-6-14-44-26)37-30(42)24(16-20-7-4-3-5-8-20)35-31(43)25(17-34-19(2)38)36-29(41)23(32)15-21-10-12-22(39)13-11-21/h3-14,23-25,27,39H,1,15-17,32H2,2H3,(H2,33,40)(H,34,38)(H,35,43)(H,36,41)(H,37,42)/t23-,24-,25+,27+/m0/s1
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22n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545395
PNG
(CHEMBL4638662)
Show SMILES NCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H37N7O6/c1-18(29(35)41)28(27-7-4-14-45-27)39-32(44)26(16-20-17-36-24-6-3-2-5-22(20)24)38-31(43)25(12-13-33)37-30(42)23(34)15-19-8-10-21(40)11-9-19/h2-11,14,17,23,25-26,28,36,40H,1,12-13,15-16,33-34H2,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t23-,25+,26-,28+/m0/s1
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32n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545391
PNG
(CHEMBL4638811)
Show SMILES CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H38N6O6/c1-3-7-26(37-31(42)24(34)16-20-11-13-22(40)14-12-20)32(43)38-27(17-21-18-36-25-9-5-4-8-23(21)25)33(44)39-29(19(2)30(35)41)28-10-6-15-45-28/h4-6,8-15,18,24,26-27,29,36,40H,2-3,7,16-17,34H2,1H3,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t24-,26+,27-,29+/m0/s1
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34n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545398
PNG
(CHEMBL4642698)
Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C29H34N6O6/c1-17(26(32)37)25(24-8-5-13-41-24)35-28(39)22(15-18-6-3-2-4-7-18)33-29(40)23(16-30)34-27(38)21(31)14-19-9-11-20(36)12-10-19/h2-13,21-23,25,36H,1,14-16,30-31H2,(H2,32,37)(H,33,40)(H,34,38)(H,35,39)/t21-,22-,23+,25+/m0/s1
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53n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545397
PNG
(CHEMBL4635184)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H41N7O6/c1-20(31(37)43)30(29-10-6-16-47-29)41-34(46)28(18-22-19-38-26-8-3-2-7-24(22)26)40-33(45)27(9-4-5-15-35)39-32(44)25(36)17-21-11-13-23(42)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,38,42H,1,4-5,9,15,17-18,35-36H2,(H2,37,43)(H,39,44)(H,40,45)(H,41,46)/t25-,27+,28-,30+/m0/s1
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172n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545396
PNG
(CHEMBL4638691)
Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1
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320n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545393
PNG
(CHEMBL4634908)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C35H43N9O6/c1-20(31(37)46)30(29-10-6-16-50-29)44-34(49)28(18-22-19-41-26-8-3-2-7-24(22)26)43-33(48)27(9-4-5-15-40-35(38)39)42-32(47)25(36)17-21-11-13-23(45)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,41,45H,1,4-5,9,15,17-18,36H2,(H2,37,46)(H,42,47)(H,43,48)(H,44,49)(H4,38,39,40)/t25-,27+,28-,30+/m0/s1
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405n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545396
PNG
(CHEMBL4638691)
Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1
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437n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545387
PNG
(CHEMBL4645094)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H40N8O6/c1-19(28(34)42)27(26-10-6-16-46-26)40-31(45)25(18-20-7-3-2-4-8-20)39-30(44)24(9-5-15-37-32(35)36)38-29(43)23(33)17-21-11-13-22(41)14-12-21/h2-4,6-8,10-14,16,23-25,27,41H,1,5,9,15,17-18,33H2,(H2,34,42)(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/t23-,24+,25-,27+/m0/s1
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922n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545392
PNG
(CHEMBL4642564)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H41N9O6/c1-19(30(36)45)29(28-9-5-15-49-28)43-33(48)27(17-21-18-40-25-7-3-2-6-23(21)25)42-32(47)26(8-4-14-39-34(37)38)41-31(46)24(35)16-20-10-12-22(44)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,40,44H,1,4,8,14,16-17,35H2,(H2,36,45)(H,41,46)(H,42,47)(H,43,48)(H4,37,38,39)/t24-,26+,27-,29+/m0/s1
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955n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545391
PNG
(CHEMBL4638811)
Show SMILES CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H38N6O6/c1-3-7-26(37-31(42)24(34)16-20-11-13-22(40)14-12-20)32(43)38-27(17-21-18-36-25-9-5-4-8-23(21)25)33(44)39-29(19(2)30(35)41)28-10-6-15-45-28/h4-6,8-15,18,24,26-27,29,36,40H,2-3,7,16-17,34H2,1H3,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t24-,26+,27-,29+/m0/s1
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2.66E+3n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545389
PNG
(CHEMBL4646736)
Show SMILES CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C36H43N7O7/c1-21(33(38)46)32(31-11-7-17-50-31)43-36(49)30(19-24-20-40-28-9-4-3-8-26(24)28)42-35(48)29(10-5-6-16-39-22(2)44)41-34(47)27(37)18-23-12-14-25(45)15-13-23/h3-4,7-9,11-15,17,20,27,29-30,32,40,45H,1,5-6,10,16,18-19,37H2,2H3,(H2,38,46)(H,39,44)(H,41,47)(H,42,48)(H,43,49)/t27-,29+,30-,32+/m0/s1
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3.58E+3n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545397
PNG
(CHEMBL4635184)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H41N7O6/c1-20(31(37)43)30(29-10-6-16-47-29)41-34(46)28(18-22-19-38-26-8-3-2-7-24(22)26)40-33(45)27(9-4-5-15-35)39-32(44)25(36)17-21-11-13-23(42)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,38,42H,1,4-5,9,15,17-18,35-36H2,(H2,37,43)(H,39,44)(H,40,45)(H,41,46)/t25-,27+,28-,30+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545395
PNG
(CHEMBL4638662)
Show SMILES NCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H37N7O6/c1-18(29(35)41)28(27-7-4-14-45-27)39-32(44)26(16-20-17-36-24-6-3-2-5-22(20)24)38-31(43)25(12-13-33)37-30(42)23(34)15-19-8-10-21(40)11-9-19/h2-11,14,17,23,25-26,28,36,40H,1,12-13,15-16,33-34H2,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t23-,25+,26-,28+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545394
PNG
(CHEMBL4640310)
Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C31H35N7O6/c1-17(28(34)40)27(26-7-4-12-44-26)38-30(42)24(14-19-16-35-23-6-3-2-5-21(19)23)36-31(43)25(15-32)37-29(41)22(33)13-18-8-10-20(39)11-9-18/h2-12,16,22,24-25,27,35,39H,1,13-15,32-33H2,(H2,34,40)(H,36,43)(H,37,41)(H,38,42)/t22-,24-,25+,27+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545393
PNG
(CHEMBL4634908)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C35H43N9O6/c1-20(31(37)46)30(29-10-6-16-50-29)44-34(49)28(18-22-19-41-26-8-3-2-7-24(22)26)43-33(48)27(9-4-5-15-40-35(38)39)42-32(47)25(36)17-21-11-13-23(45)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,41,45H,1,4-5,9,15,17-18,36H2,(H2,37,46)(H,42,47)(H,43,48)(H,44,49)(H4,38,39,40)/t25-,27+,28-,30+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545390
PNG
(CHEMBL4633024)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H40N8O7/c1-19(30(36)44)29(28-9-5-15-49-28)42-33(47)27(17-21-18-39-25-7-3-2-6-23(21)25)41-32(46)26(8-4-14-38-34(37)48)40-31(45)24(35)16-20-10-12-22(43)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,39,43H,1,4,8,14,16-17,35H2,(H2,36,44)(H,40,45)(H,41,46)(H,42,47)(H3,37,38,48)/t24-,26+,27-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545388
PNG
(CHEMBL4647561)
Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H37N7O7/c1-18(30(35)43)29(28-8-5-13-47-28)40-32(45)26(15-21-16-37-25-7-4-3-6-23(21)25)38-33(46)27(17-36-19(2)41)39-31(44)24(34)14-20-9-11-22(42)12-10-20/h3-13,16,24,26-27,29,37,42H,1,14-15,17,34H2,2H3,(H2,35,43)(H,36,41)(H,38,46)(H,39,44)(H,40,45)/t24-,26-,27+,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545386
PNG
(CHEMBL4644694)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545385
PNG
(CHEMBL4635430)
Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C31H36N6O7/c1-18(28(33)40)27(26-9-6-14-44-26)37-30(42)24(16-20-7-4-3-5-8-20)35-31(43)25(17-34-19(2)38)36-29(41)23(32)15-21-10-12-22(39)13-11-21/h3-14,23-25,27,39H,1,15-17,32H2,2H3,(H2,33,40)(H,34,38)(H,35,43)(H,36,41)(H,37,42)/t23-,24-,25+,27+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545398
PNG
(CHEMBL4642698)
Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C29H34N6O6/c1-17(26(32)37)25(24-8-5-13-41-24)35-28(39)22(15-18-6-3-2-4-7-18)33-29(40)23(16-30)34-27(38)21(31)14-19-9-11-20(36)12-10-19/h2-13,21-23,25,36H,1,14-16,30-31H2,(H2,32,37)(H,33,40)(H,34,38)(H,35,39)/t21-,22-,23+,25+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545397
PNG
(CHEMBL4635184)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H41N7O6/c1-20(31(37)43)30(29-10-6-16-47-29)41-34(46)28(18-22-19-38-26-8-3-2-7-24(22)26)40-33(45)27(9-4-5-15-35)39-32(44)25(36)17-21-11-13-23(42)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,38,42H,1,4-5,9,15,17-18,35-36H2,(H2,37,43)(H,39,44)(H,40,45)(H,41,46)/t25-,27+,28-,30+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545396
PNG
(CHEMBL4638691)
Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545395
PNG
(CHEMBL4638662)
Show SMILES NCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H37N7O6/c1-18(29(35)41)28(27-7-4-14-45-27)39-32(44)26(16-20-17-36-24-6-3-2-5-22(20)24)38-31(43)25(12-13-33)37-30(42)23(34)15-19-8-10-21(40)11-9-19/h2-11,14,17,23,25-26,28,36,40H,1,12-13,15-16,33-34H2,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t23-,25+,26-,28+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545394
PNG
(CHEMBL4640310)
Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C31H35N7O6/c1-17(28(34)40)27(26-7-4-12-44-26)38-30(42)24(14-19-16-35-23-6-3-2-5-21(19)23)36-31(43)25(15-32)37-29(41)22(33)13-18-8-10-20(39)11-9-18/h2-12,16,22,24-25,27,35,39H,1,13-15,32-33H2,(H2,34,40)(H,36,43)(H,37,41)(H,38,42)/t22-,24-,25+,27+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545393
PNG
(CHEMBL4634908)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C35H43N9O6/c1-20(31(37)46)30(29-10-6-16-50-29)44-34(49)28(18-22-19-41-26-8-3-2-7-24(22)26)43-33(48)27(9-4-5-15-40-35(38)39)42-32(47)25(36)17-21-11-13-23(45)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,41,45H,1,4-5,9,15,17-18,36H2,(H2,37,46)(H,42,47)(H,43,48)(H,44,49)(H4,38,39,40)/t25-,27+,28-,30+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545390
PNG
(CHEMBL4633024)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H40N8O7/c1-19(30(36)44)29(28-9-5-15-49-28)42-33(47)27(17-21-18-39-25-7-3-2-6-23(21)25)41-32(46)26(8-4-14-38-34(37)48)40-31(45)24(35)16-20-10-12-22(43)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,39,43H,1,4,8,14,16-17,35H2,(H2,36,44)(H,40,45)(H,41,46)(H,42,47)(H3,37,38,48)/t24-,26+,27-,29+/m0/s1
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Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545391
PNG
(CHEMBL4638811)
Show SMILES CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H38N6O6/c1-3-7-26(37-31(42)24(34)16-20-11-13-22(40)14-12-20)32(43)38-27(17-21-18-36-25-9-5-4-8-23(21)25)33(44)39-29(19(2)30(35)41)28-10-6-15-45-28/h4-6,8-15,18,24,26-27,29,36,40H,2-3,7,16-17,34H2,1H3,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t24-,26+,27-,29+/m0/s1
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Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545392
PNG
(CHEMBL4642564)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H41N9O6/c1-19(30(36)45)29(28-9-5-15-49-28)43-33(48)27(17-21-18-40-25-7-3-2-6-23(21)25)42-32(47)26(8-4-14-39-34(37)38)41-31(46)24(35)16-20-10-12-22(44)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,40,44H,1,4,8,14,16-17,35H2,(H2,36,45)(H,41,46)(H,42,47)(H,43,48)(H4,37,38,39)/t24-,26+,27-,29+/m0/s1
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Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545389
PNG
(CHEMBL4646736)
Show SMILES CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C36H43N7O7/c1-21(33(38)46)32(31-11-7-17-50-31)43-36(49)30(19-24-20-40-28-9-4-3-8-26(24)28)42-35(48)29(10-5-6-16-39-22(2)44)41-34(47)27(37)18-23-12-14-25(45)15-13-23/h3-4,7-9,11-15,17,20,27,29-30,32,40,45H,1,5-6,10,16,18-19,37H2,2H3,(H2,38,46)(H,39,44)(H,41,47)(H,42,48)(H,43,49)/t27-,29+,30-,32+/m0/s1
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Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545388
PNG
(CHEMBL4647561)
Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H37N7O7/c1-18(30(35)43)29(28-8-5-13-47-28)40-32(45)26(15-21-16-37-25-7-4-3-6-23(21)25)38-33(46)27(17-36-19(2)41)39-31(44)24(34)14-20-9-11-22(42)12-10-20/h3-13,16,24,26-27,29,37,42H,1,14-15,17,34H2,2H3,(H2,35,43)(H,36,41)(H,38,46)(H,39,44)(H,40,45)/t24-,26-,27+,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545387
PNG
(CHEMBL4645094)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H40N8O6/c1-19(28(34)42)27(26-10-6-16-46-26)40-31(45)25(18-20-7-3-2-4-8-20)39-30(44)24(9-5-15-37-32(35)36)38-29(43)23(33)17-21-11-13-22(41)14-12-21/h2-4,6-8,10-14,16,23-25,27,41H,1,5,9,15,17-18,33H2,(H2,34,42)(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/t23-,24+,25-,27+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545386
PNG
(CHEMBL4644694)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545385
PNG
(CHEMBL4635430)
Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C31H36N6O7/c1-18(28(33)40)27(26-9-6-14-44-26)37-30(42)24(16-20-7-4-3-5-8-20)35-31(43)25(17-34-19(2)38)36-29(41)23(32)15-21-10-12-22(39)13-11-21/h3-14,23-25,27,39H,1,15-17,32H2,2H3,(H2,33,40)(H,34,38)(H,35,43)(H,36,41)(H,37,42)/t23-,24-,25+,27+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545398
PNG
(CHEMBL4642698)
Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C29H34N6O6/c1-17(26(32)37)25(24-8-5-13-41-24)35-28(39)22(15-18-6-3-2-4-7-18)33-29(40)23(16-30)34-27(38)21(31)14-19-9-11-20(36)12-10-19/h2-13,21-23,25,36H,1,14-16,30-31H2,(H2,32,37)(H,33,40)(H,34,38)(H,35,39)/t21-,22-,23+,25+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545391
PNG
(CHEMBL4638811)
Show SMILES CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H38N6O6/c1-3-7-26(37-31(42)24(34)16-20-11-13-22(40)14-12-20)32(43)38-27(17-21-18-36-25-9-5-4-8-23(21)25)33(44)39-29(19(2)30(35)41)28-10-6-15-45-28/h4-6,8-15,18,24,26-27,29,36,40H,2-3,7,16-17,34H2,1H3,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t24-,26+,27-,29+/m0/s1
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n/an/an/an/a 337n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor (unknown origin) expressed in human HEK293 cells assessed as increase in cAMP accumulation using [3H]-cAMP as ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545398
PNG
(CHEMBL4642698)
Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C29H34N6O6/c1-17(26(32)37)25(24-8-5-13-41-24)35-28(39)22(15-18-6-3-2-4-7-18)33-29(40)23(16-30)34-27(38)21(31)14-19-9-11-20(36)12-10-19/h2-13,21-23,25,36H,1,14-16,30-31H2,(H2,32,37)(H,33,40)(H,34,38)(H,35,39)/t21-,22-,23+,25+/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor (unknown origin) expressed in human HEK293 cells assessed as increase in cAMP accumulation using [3H]-cAMP as ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
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