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Compile Data Set for Download or QSAR

Found 122 hits of ec50 data for polymerid = 3138,3139,49000889,49000994   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009146
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138770
PNG
(CHEMBL411282 | cyclo[D-Asp2,Dap5]Dyn A-(1-11)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H99N23O13/c1-3-34(2)49(58(97)81-42(18-11-27-74-62(70)71)59(98)85-28-12-19-46(85)57(96)78-39(50(65)89)15-7-8-24-63)84-54(93)41(17-10-26-73-61(68)69)79-53(92)40(16-9-25-72-60(66)67)80-56(95)45-32-75-47(87)31-44(82-51(90)38(64)29-36-20-22-37(86)23-21-36)52(91)76-33-48(88)77-43(55(94)83-45)30-35-13-5-4-6-14-35/h4-6,13-14,20-23,34,38-46,49,86H,3,7-12,15-19,24-33,63-64H2,1-2H3,(H2,65,89)(H,75,87)(H,76,91)(H,77,88)(H,78,96)(H,79,92)(H,80,95)(H,81,97)(H,82,90)(H,83,94)(H,84,93)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t34-,38-,39-,40-,41-,42-,43+,44+,45+,46-,49-/m0/s1
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n/an/an/an/a 0.390n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated adenylyl cyclase activity by compound in CHO cells expressing Opioid receptor kappa 1


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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n/an/an/an/a 0.390n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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Article
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n/an/an/an/a 0.5n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at GFP-tagged rat kappa opioid receptor expressed in HEK293 cells assessed as increase in ERK1/2 phosphorylation after 5 mins by Wes...


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138766
PNG
(CHEMBL439272 | cyclo[D-Ala3]Dyn A-(1-11)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35+,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1
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n/an/an/an/a 0.540n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated adenylyl cyclase activity by compound in CHO cells expressing Opioid receptor kappa 1


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138780
PNG
(CHEMBL261992 | cyclo[Ala3]Dyn A-(1-11)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H101N23O13/c1-4-34(2)49(59(98)81-43(19-12-28-75-63(71)72)60(99)86-29-13-20-47(86)58(97)78-40(50(66)89)16-8-9-25-64)85-54(93)42(18-11-27-74-62(69)70)79-53(92)41(17-10-26-73-61(67)68)80-57(96)46-33-76-48(88)32-45(83-52(91)39(65)30-37-21-23-38(87)24-22-37)55(94)77-35(3)51(90)82-44(56(95)84-46)31-36-14-6-5-7-15-36/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-65H2,1-3H3,(H2,66,89)(H,76,88)(H,77,94)(H,78,97)(H,79,92)(H,80,96)(H,81,98)(H,82,90)(H,83,91)(H,84,95)(H,85,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t34-,35-,39-,40-,41-,42-,43-,44+,45+,46+,47-,49-/m0/s1
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n/an/an/an/a 0.650n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated adenylyl cyclase activity by compound in CHO cells expressing Opioid receptor kappa 1


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50535347
PNG
(CHEMBL4476818)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3cnc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C34H36N4O3.C2HF3O2/c1-20-13-26(39)14-21(2)27(20)18-29(35)33(40)37-31-11-12-38(34(41)24-8-9-24)32-10-7-22(17-28(31)32)15-23-16-25-5-3-4-6-30(25)36-19-23;3-2(4,5)1(6)7/h3-7,10,13-14,16-17,19,24,29,31,39H,8-9,11-12,15,18,35H2,1-2H3,(H,37,40);(H,6,7)/t29-,31+;/m0./s1
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n/an/an/an/a 0.710n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...


J Med Chem 62: 4193-4203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00378
BindingDB Entry DOI: 10.7270/Q2542S2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297345
PNG
((5S,8S,13R,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,50-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50274686
PNG
(CHEMBL4129679)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C28H39N7O6/c1-16-11-19(36)12-17(2)20(16)14-21(29)25(39)34-22(9-6-10-32-28(30)31)27(41)35-23(26(40)33-15-24(37)38)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,21-23,36H,6,9-10,13-15,29H2,1-2H3,(H,33,40)(H,34,39)(H,35,41)(H,37,38)(H4,30,31,32)/t21-,22+,23-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133053
PNG
(CHEMBL405057 | Opioid Peptide [d-Ala(8)]Dynorphin ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C60H98N22O12/c1-34(2)29-44(81-55(92)45(31-36-13-5-4-6-14-36)76-48(85)33-73-47(84)32-74-51(88)39(62)30-37-20-22-38(83)23-21-37)54(91)79-42(17-10-26-71-59(66)67)53(90)78-41(16-9-25-70-58(64)65)52(89)75-35(3)50(87)80-43(18-11-27-72-60(68)69)57(94)82-28-12-19-46(82)56(93)77-40(49(63)86)15-7-8-24-61/h4-6,13-14,20-23,34-35,39-46,83H,7-12,15-19,24-33,61-62H2,1-3H3,(H2,63,86)(H,73,84)(H,74,88)(H,75,89)(H,76,85)(H,77,93)(H,78,90)(H,79,91)(H,80,87)(H,81,92)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t35-,39+,40+,41+,42+,43+,44+,45-,46+/m1/s1
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n/an/an/an/a 1.24n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opioid receptor kappa 1


J Med Chem 46: 4002-8 (2003)


Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a


TBA

Assay Description
Agonist activity at rat delta opioid receptor expressed in CHO cells incubated for 1 hr by [35S]GTPgammaS binding based liquid scintillation counting...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112070
BindingDB Entry DOI: 10.7270/Q2JW8JHX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50535339
PNG
(CHEMBL4453526)
Show SMILES OC(=O)C(F)(F)F.CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cc4ccccc4o3)ccc12 |r|
Show InChI InChI=1S/C31H33N3O4.C2HF3O2/c1-18-12-23(36)13-19(2)25(18)17-27(32)31(37)33-28-10-11-34(20(3)35)29-9-8-21(15-26(28)29)14-24-16-22-6-4-5-7-30(22)38-24;3-2(4,5)1(6)7/h4-9,12-13,15-16,27-28,36H,10-11,14,17,32H2,1-3H3,(H,33,37);(H,6,7)/t27-,28+;/m0./s1
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n/an/an/an/a 1.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...


J Med Chem 62: 4193-4203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00378
BindingDB Entry DOI: 10.7270/Q2542S2Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50535337
PNG
(CHEMBL4446945)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C35H37N3O3.C2HF3O2/c1-21-15-28(39)16-22(2)29(21)20-31(36)34(40)37-32-13-14-38(35(41)26-10-11-26)33-12-8-24(19-30(32)33)17-23-7-9-25-5-3-4-6-27(25)18-23;3-2(4,5)1(6)7/h3-9,12,15-16,18-19,26,31-32,39H,10-11,13-14,17,20,36H2,1-2H3,(H,37,40);(H,6,7)/t31-,32+;/m0./s1
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n/an/an/an/a 1.90n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...


J Med Chem 62: 4193-4203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00378
BindingDB Entry DOI: 10.7270/Q2542S2Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50274689
PNG
(CHEMBL4126050)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C25H32N4O6/c1-14-9-18(30)10-15(2)19(14)12-20(26)24(34)28-16(3)23(33)29-21(25(35)27-13-22(31)32)11-17-7-5-4-6-8-17/h4-10,16,20-21,30H,11-13,26H2,1-3H3,(H,27,35)(H,28,34)(H,29,33)(H,31,32)/t16-,20+,21+/m1/s1
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n/an/an/an/a 2.40n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133054
PNG
(CHEMBL412228 | Opioid Peptide [d-Ala(8)]Dynorphin ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O12/c1-35(2)30-45(81-57(94)47(32-37-14-6-5-7-15-37)82(4)49(86)34-74-48(85)33-75-52(89)40(63)31-38-21-23-39(84)24-22-38)55(92)79-43(18-11-27-72-60(67)68)54(91)78-42(17-10-26-71-59(65)66)53(90)76-36(3)51(88)80-44(19-12-28-73-61(69)70)58(95)83-29-13-20-46(83)56(93)77-41(50(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-47,84H,8-13,16-20,25-34,62-63H2,1-4H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,47-/m1/s1
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n/an/an/an/a 3.56n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opioid receptor kappa 1


J Med Chem 46: 4002-8 (2003)


Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50535349
PNG
(CHEMBL4451910)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3cc4ccccc4o3)cc12 |r|
Show InChI InChI=1S/C33H35N3O4.C2HF3O2/c1-19-13-24(37)14-20(2)26(19)18-28(34)32(38)35-29-11-12-36(33(39)22-8-9-22)30-10-7-21(16-27(29)30)15-25-17-23-5-3-4-6-31(23)40-25;3-2(4,5)1(6)7/h3-7,10,13-14,16-17,22,28-29,37H,8-9,11-12,15,18,34H2,1-2H3,(H,35,38);(H,6,7)/t28-,29+;/m0./s1
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n/an/an/an/a 3.70n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...


J Med Chem 62: 4193-4203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00378
BindingDB Entry DOI: 10.7270/Q2542S2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138777
PNG
(CHEMBL414904 | cyclo[Trp3]Dyn A-(1-11)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H106N24O13/c1-3-39(2)57(67(107)89-50(22-13-31-83-71(79)80)68(108)95-32-14-23-55(95)66(106)86-47(58(74)98)19-9-10-28-72)94-61(101)49(21-12-30-82-70(77)78)87-60(100)48(20-11-29-81-69(75)76)88-65(105)54-38-85-56(97)36-53(90-59(99)45(73)33-41-24-26-43(96)27-25-41)64(104)92-52(35-42-37-84-46-18-8-7-17-44(42)46)63(103)91-51(62(102)93-54)34-40-15-5-4-6-16-40/h4-8,15-18,24-27,37,39,45,47-55,57,84,96H,3,9-14,19-23,28-36,38,72-73H2,1-2H3,(H2,74,98)(H,85,97)(H,86,106)(H,87,100)(H,88,105)(H,89,107)(H,90,99)(H,91,103)(H,92,104)(H,93,102)(H,94,101)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t39-,45-,47-,48-,49-,50-,51+,52-,53+,54+,55-,57-/m0/s1
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n/an/an/an/a 4.19n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated adenylyl cyclase activity by compound in CHO cells expressing Opioid receptor kappa 1


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50274679
PNG
(CHEMBL4128530)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N(C)[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H37N5O5/c1-6-19-9-7-8-10-20(19)13-24(27(37)31-15-25(30)35)33(5)28(38)18(4)32-26(36)23(29)14-22-16(2)11-21(34)12-17(22)3/h6-12,18,23-24,34H,1,13-15,29H2,2-5H3,(H2,30,35)(H,31,37)(H,32,36)/t18-,23+,24+/m1/s1
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n/an/an/an/a 4.40n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50274741
PNG
(CHEMBL4126470)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C31H37N5O5/c1-18-13-23(37)14-19(2)25(18)16-26(32)30(40)35-20(3)29(39)36-27(31(41)34-17-28(33)38)15-22-11-7-8-12-24(22)21-9-5-4-6-10-21/h4-14,20,26-27,37H,15-17,32H2,1-3H3,(H2,33,38)(H,34,41)(H,35,40)(H,36,39)/t20-,26+,27+/m1/s1
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n/an/an/an/a 4.90n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Tested for thromboxane antagonist potency (pA2) against U 44619 induced platelet aggregation using human platelet rich plasma


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50185312
PNG
(CHEMBL3823787)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C32H37N3O3/c1-20-15-25(36)16-21(2)26(20)19-28(33)31(37)34-29-13-14-35(32(38)24-9-6-10-24)30-12-11-23(18-27(29)30)17-22-7-4-3-5-8-22/h3-5,7-8,11-12,15-16,18,24,28-29,36H,6,9-10,13-14,17,19,33H2,1-2H3,(H,34,37)/t28-,29+/m0/s1
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n/an/an/an/a 5.10n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133051
PNG
(CHEMBL413832 | Opioid Peptide [d-Ala(8)]Dynorphin ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O12/c1-35(2)31-46(82-55(92)44(25-22-37-13-5-4-6-14-37)77-49(86)34-74-48(85)33-75-52(89)40(63)32-38-20-23-39(84)24-21-38)56(93)80-43(17-10-28-72-60(67)68)54(91)79-42(16-9-27-71-59(65)66)53(90)76-36(3)51(88)81-45(18-11-29-73-61(69)70)58(95)83-30-12-19-47(83)57(94)78-41(50(64)87)15-7-8-26-62/h4-6,13-14,20-21,23-24,35-36,40-47,84H,7-12,15-19,22,25-34,62-63H2,1-3H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,86)(H,78,94)(H,79,91)(H,80,93)(H,81,88)(H,82,92)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opioid receptor kappa 1


J Med Chem 46: 4002-8 (2003)


Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at GFP-tagged rat kappa opioid receptor expressed in HEK293 cells assessed as increase in beta-arrestin mediated p38 phosphorylation...


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50274694
PNG
(CHEMBL4129901)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-5-18-8-6-7-9-19(18)12-23(27(37)30-14-24(29)34)32-25(35)17(4)31-26(36)22(28)13-21-15(2)10-20(33)11-16(21)3/h5-11,17,22-23,33H,1,12-14,28H2,2-4H3,(H2,29,34)(H,30,37)(H,31,36)(H,32,35)/t17-,22+,23+/m1/s1
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n/an/an/an/a 5.80n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50535343
PNG
(CHEMBL4550332)
Show SMILES OC(=O)C(F)(F)F.CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cnc4ccccc4c3)ccc12 |r|
Show InChI InChI=1S/C32H34N4O3.C2HF3O2/c1-19-12-25(38)13-20(2)26(19)17-28(33)32(39)35-30-10-11-36(21(3)37)31-9-8-22(16-27(30)31)14-23-15-24-6-4-5-7-29(24)34-18-23;3-2(4,5)1(6)7/h4-9,12-13,15-16,18,28,30,38H,10-11,14,17,33H2,1-3H3,(H,35,39);(H,6,7)/t28-,30+;/m0./s1
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n/an/an/an/a 5.80n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...


J Med Chem 62: 4193-4203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00378
BindingDB Entry DOI: 10.7270/Q2542S2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effective concentration to inhibit E203Q,D204N,D206N KL-2 Opioid receptor kappa 1 binding to [35S]GTP-gamma-S, expressed in COS cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50274696
PNG
(CHEMBL4126102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-8-5-6-9-20(19)14-25(28(42)36-16-26(32)40)38-29(43)24(10-7-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4-6,8-9,12-13,23-25,39H,1,7,10-11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/an/an/a 7.70n/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


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


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effective concentration to inhibit D216,ND217N,E218Q KL-2 Opioid receptor kappa 1 binding to [35S]GTP-gamma-S, expressed in COS cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50240354
PNG
(CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1
Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3
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n/an/an/an/a 8n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes


J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50185309
PNG
(CHEMBL3824052)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C31H37N3O3/c1-4-8-30(36)34-14-13-28(26-18-23(11-12-29(26)34)17-22-9-6-5-7-10-22)33-31(37)27(32)19-25-20(2)15-24(35)16-21(25)3/h5-7,9-12,15-16,18,27-28,35H,4,8,13-14,17,19,32H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/an/an/a 8.10n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 8.30n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50185311
PNG
(CHEMBL3823231)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C31H35N3O3/c1-19-14-24(35)15-20(2)25(19)18-27(32)30(36)33-28-12-13-34(31(37)23-9-10-23)29-11-8-22(17-26(28)29)16-21-6-4-3-5-7-21/h3-8,11,14-15,17,23,27-28,35H,9-10,12-13,16,18,32H2,1-2H3,(H,33,36)/t27-,28+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50138765
PNG
(CHEMBL405307 | cyclo[D-Trp3]Dyn A-(1-11)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C71H106N24O13/c1-3-39(2)57(67(107)89-50(22-13-31-83-71(79)80)68(108)95-32-14-23-55(95)66(106)86-47(58(74)98)19-9-10-28-72)94-61(101)49(21-12-30-82-70(77)78)87-60(100)48(20-11-29-81-69(75)76)88-65(105)54-38-85-56(97)36-53(90-59(99)45(73)33-41-24-26-43(96)27-25-41)64(104)92-52(35-42-37-84-46-18-8-7-17-44(42)46)63(103)91-51(62(102)93-54)34-40-15-5-4-6-16-40/h4-8,15-18,24-27,37,39,45,47-55,57,84,96H,3,9-14,19-23,28-36,38,72-73H2,1-2H3,(H2,74,98)(H,85,97)(H,86,106)(H,87,100)(H,88,105)(H,89,107)(H,90,99)(H,91,103)(H,92,104)(H,93,102)(H,94,101)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t39-,45-,47-,48-,49-,50-,51+,52+,53+,54+,55-,57-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated adenylyl cyclase activity by compound in CHO cells expressing Opioid receptor kappa 1


J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50535340
PNG
(CHEMBL4521319)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cc3ccccc3)cc12)S(C)(=O)=O |r|
Show InChI InChI=1S/C28H33N3O4S.C2HF3O2/c1-18-13-22(32)14-19(2)23(18)17-25(29)28(33)30-26-11-12-31(36(3,34)35)27-10-9-21(16-24(26)27)15-20-7-5-4-6-8-20;3-2(4,5)1(6)7/h4-10,13-14,16,25-26,32H,11-12,15,17,29H2,1-3H3,(H,30,33);(H,6,7)/t25-,26+;/m0./s1
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n/an/an/an/a 12n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...


J Med Chem 62: 4193-4203 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00378
BindingDB Entry DOI: 10.7270/Q2542S2Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50185313
PNG
(CHEMBL3823830)
Show SMILES COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C29H33N3O4/c1-18-13-22(33)14-19(2)23(18)17-25(30)28(34)31-26-11-12-32(29(35)36-3)27-10-9-21(16-24(26)27)15-20-7-5-4-6-8-20/h4-10,13-14,16,25-26,33H,11-12,15,17,30H2,1-3H3,(H,31,34)/t25-,26+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133885
PNG
(CHEMBL3634250)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H39N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h9-10,13-14,16,21,26-27,34H,4-8,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation count...


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50185317
PNG
(CHEMBL3823815)
Show SMILES CCOC(=O)CN1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C31H37N3O4/c1-4-38-30(36)19-34-13-12-28(26-17-23(10-11-29(26)34)16-22-8-6-5-7-9-22)33-31(37)27(32)18-25-20(2)14-24(35)15-21(25)3/h5-11,14-15,17,27-28,35H,4,12-13,16,18-19,32H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/an/an/a 15n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effective concentration to inhibit wild type KL-2 Opioid receptor kappa 1 binding to [35S]GTP-gamma-S, expressed in COS cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50274731
PNG
(CHEMBL4126322)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1ccccc1-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C32H46N8O5/c1-18(2)12-21-8-5-6-9-22(21)15-27(30(44)38-17-28(34)42)40-31(45)26(10-7-11-37-32(35)36)39-29(43)25(33)16-24-19(3)13-23(41)14-20(24)4/h5-6,8-9,12-14,25-27,41H,7,10-11,15-17,33H2,1-4H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50027091
PNG
(19-isothiocyanato-15-methoxy-3-methyl-13-oxa-3-aza...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:20.20,5.4,7.8,2.1,c:3,TLB:18:26:5:24.22.23,25:24:5:26.13.12,THB:4:5:26.13.12:24.22.23,(20.42,-20.53,;18.87,-20.55,;18.09,-19.26,;16.74,-18.48,;17.9,-17.38,;16.55,-16.6,;18.09,-16.63,;18.85,-17.91,;20.4,-17.91,;21.95,-17.9,;23.51,-17.87,;15.82,-15.24,;14.3,-15.21,;13.51,-16.54,;11.97,-16.5,;11.18,-17.77,;11.92,-19.13,;11.11,-20.43,;13.47,-19.16,;14.9,-20.1,;16.52,-19.22,;15.77,-17.87,;15.58,-16.5,;14.86,-15.77,;15.8,-13.69,;17.15,-12.89,;14.25,-17.84,)|
Show InChI InChI=1S/C21H22N2O3S/c1-23-8-7-20-16-12-3-4-13(24)17(16)26-18(20)21(25-2)6-5-19(20,15(23)9-12)10-14(21)22-11-27/h3-6,14-15,18,24H,7-10H2,1-2H3/t14-,15?,18+,19+,20?,21+/m0/s1
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n/an/an/an/a 20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes


J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50506099
PNG
(CHEMBL4451186)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(N)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H36N2O3/c1-33-23-10-7-20-15-24-28-11-12-30(34-2,22(16-28)19-5-8-21(31)9-6-19)27-29(28,25(20)26(23)35-27)13-14-32(24)17-18-3-4-18/h5-10,18,22,24,27H,3-4,11-17,31H2,1-2H3/t22-,24-,27-,28-,29+,30-/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillat...


J Med Chem 62: 11054-11070 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00857
BindingDB Entry DOI: 10.7270/Q2VD72RV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50142699
PNG
(CHEMBL3759831)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H41N5O7S2/c1-2-3-11-26-31(42)39-29(34(45)46)19-48-47-18-28(38-30(41)25(35)16-20-12-14-23(40)15-13-20)33(44)37-27(32(43)36-26)17-22-9-6-8-21-7-4-5-10-24(21)22/h4-10,12-15,25-29,40H,2-3,11,16-19,35H2,1H3,(H,36,43)(H,37,44)(H,38,41)(H,39,42)(H,45,46)/t25-,26-,27-,28-,29+/m0/s1
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n/an/an/an/a 22n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor transfected in C6 cells by [35S]GTPgammaS binding assay


Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50142697
PNG
(CHEMBL3759294)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H42N6O6S2/c1-2-3-11-26-32(44)39-28(30(36)42)18-47-48-19-29(40-31(43)25(35)16-20-12-14-23(41)15-13-20)34(46)38-27(33(45)37-26)17-22-9-6-8-21-7-4-5-10-24(21)22/h4-10,12-15,25-29,41H,2-3,11,16-19,35H2,1H3,(H2,36,42)(H,37,45)(H,38,46)(H,39,44)(H,40,43)/t25-,26-,27-,28+,29-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor transfected in C6 cells by [35S]GTPgammaS binding assay


Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50185310
PNG
(CHEMBL3824042)
Show SMILES CC(C)C(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C31H37N3O3/c1-19(2)31(37)34-13-12-28(26-17-23(10-11-29(26)34)16-22-8-6-5-7-9-22)33-30(36)27(32)18-25-20(3)14-24(35)15-21(25)4/h5-11,14-15,17,19,27-28,35H,12-13,16,18,32H2,1-4H3,(H,33,36)/t27-,28+/m0/s1
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n/an/an/an/a 25n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50274729
PNG
(CHEMBL4128945)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C29H39F3N8O5/c1-15-10-19(41)11-16(2)20(15)13-21(33)25(43)39-22(4-3-9-37-28(35)36)27(45)40-23(26(44)38-14-24(34)42)12-17-5-7-18(8-6-17)29(30,31)32/h5-8,10-11,21-23,41H,3-4,9,12-14,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t21-,22+,23-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133049
PNG
(CHEMBL262310 | Opioid Peptide [d-Ala(8)]Dynorphin ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H98N22O12/c1-34(2)28-45(81-57(94)47-30-37-12-4-5-13-38(37)33-83(47)49(86)32-74-48(85)31-75-52(89)40(63)29-36-19-21-39(84)22-20-36)55(92)79-43(16-9-25-72-60(67)68)54(91)78-42(15-8-24-71-59(65)66)53(90)76-35(3)51(88)80-44(17-10-26-73-61(69)70)58(95)82-27-11-18-46(82)56(93)77-41(50(64)87)14-6-7-23-62/h4-5,12-13,19-22,34-35,40-47,84H,6-11,14-18,23-33,62-63H2,1-3H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t35-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 29.4n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opioid receptor kappa 1


J Med Chem 46: 4002-8 (2003)


Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50463295
PNG
(CHEMBL4245987)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1ccc(cc1)-c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
Show InChI InChI=1S/C38H41NO4/c1-35(33(40)27-13-11-26(12-14-27)25-7-5-4-6-8-25)23-36-17-18-38(35,42-3)34-37(36)19-20-39(22-24-9-10-24)30(36)21-28-15-16-29(41-2)32(43-34)31(28)37/h4-8,11-16,24,30,34H,9-10,17-23H2,1-3H3/t30-,34-,35-,36-,37+,38+/m1/s1
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n/an/an/an/a 31n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding based liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)


Article DOI: 10.1016/j.bmc.2018.07.020
BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50185308
PNG
(CHEMBL3822956)
Show SMILES CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C30H35N3O3/c1-4-29(35)33-13-12-27(25-17-22(10-11-28(25)33)16-21-8-6-5-7-9-21)32-30(36)26(31)18-24-19(2)14-23(34)15-20(24)3/h5-11,14-15,17,26-27,34H,4,12-13,16,18,31H2,1-3H3,(H,32,36)/t26-,27+/m0/s1
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n/an/an/an/a 32n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299209
PNG
((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-11-14-28(45)15-12-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-37(49)31(19-25-10-13-26-8-4-5-9-27(26)16-25)41-36(48)30(42-38(33)50)18-23-6-2-1-3-7-23/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,47)/t29-,30-,31-,32-,33+/m0/s1
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UniChem

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Article
PubMed
n/an/an/an/a 36n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat delta opioid receptor expressed in rat C6 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins ...


J Med Chem 52: 7724-31 (2009)


Article DOI: 10.1021/jm9007483
BindingDB Entry DOI: 10.7270/Q2GQ6XTD
More data for this
Ligand-Target Pair
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