Found 87 hits of ec50 for UniProtKB: P34975 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010704
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.390 | n/a | n/a | n/a | n/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)) | BDBM50138770
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.390 | n/a | n/a | n/a | n/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)) | BDBM50325534
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
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Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/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 Structure (crystal) |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM60212
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat brain opioid receptor |
J Med Chem 21: 101-6 (1978)
Article DOI: 10.1021/jm00199a018
BindingDB Entry DOI: 10.7270/Q2J969CM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50138766
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.540 | n/a | n/a | n/a | n/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/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50496883
(CHEMBL3228684)Show SMILES OS(O)(=O)=O.[H][C@@]12CCC[C@@]3([H])[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:27:26:10:22.15.14| Show InChI InChI=1S/C17H21NO2.H2O4S/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18;1-5(2,3)4/h5-6,11-12,14,19H,2-4,7-9H2,1H3;(H2,1,2,3,4)/t11-,12+,14-,17+;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50138780
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.650 | n/a | n/a | n/a | n/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/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM82427
(CAS_5985-38-6 | LEVORPHANOL-tartarate)Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| Purchase
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50297345
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/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/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001707
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat brain opioid receptor |
J Med Chem 21: 101-6 (1978)
Article DOI: 10.1021/jm00199a018
BindingDB Entry DOI: 10.7270/Q2J969CM |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50241341
((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5O |r| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133053
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.24 | n/a | n/a | n/a | n/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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50367061
(NALORPHINE | NALORPHINE HYDROCHLORIDE)Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17| Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50367061
(NALORPHINE | NALORPHINE HYDROCHLORIDE)Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17| Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat brain opioid receptor |
J Med Chem 21: 101-6 (1978)
Article DOI: 10.1021/jm00199a018
BindingDB Entry DOI: 10.7270/Q2J969CM |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat brain opioid receptor |
J Med Chem 21: 101-6 (1978)
Article DOI: 10.1021/jm00199a018
BindingDB Entry DOI: 10.7270/Q2J969CM |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50367061
(NALORPHINE | NALORPHINE HYDROCHLORIDE)Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17| Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50231237
(CHEBI:6125 | Cetobemidone | Cliradon | Cymidon | K...)Show InChI InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates |
J Med Chem 22: 889-90 (1979)
Article DOI: 10.1021/jm00193a028
BindingDB Entry DOI: 10.7270/Q2QZ2DXM |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates |
J Med Chem 22: 889-90 (1979)
Article DOI: 10.1021/jm00193a028
BindingDB Entry DOI: 10.7270/Q2QZ2DXM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50452273
(Dihydromorphine)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat brain opioid receptor |
J Med Chem 21: 101-6 (1978)
Article DOI: 10.1021/jm00199a018
BindingDB Entry DOI: 10.7270/Q2J969CM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133054
(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 | PDB
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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/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50496876
(CHEMBL3228291)Show SMILES CC[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |r,TLB:17:16:2:5.11.4,10:11:2:14.15.16| Show InChI InChI=1S/C18H24N2O/c1-3-15-17-11-13-5-6-14(21)12-16(13)18(15,2)7-10-20(17)9-4-8-19/h5-6,12,15,17,21H,3-4,7,9-11H2,1-2H3/t15-,17?,18-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates |
J Med Chem 22: 889-90 (1979)
Article DOI: 10.1021/jm00193a028
BindingDB Entry DOI: 10.7270/Q2QZ2DXM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50138777
(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 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 4.19 | n/a | n/a | n/a | n/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)) | BDBM50133051
(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 | PDB
Reactome pathway
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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
(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 | PDB
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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 Structure (crystal) |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225937
(CHEMBL3038189)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](N)[C@]2(OC)C=C1)ccc3O |wU:16.16,1.0,wD:17.30,21.26,19.23,7.7,c:29,THB:10:9:17:4.5.6,(6.14,-10.09,;6.66,-8.29,;4.41,-8.23,;4.01,-6.75,;5.33,-5.99,;5.33,-4.44,;6.67,-3.66,;8.01,-4.44,;9.49,-4.84,;9.33,-3.67,;10.29,-2.46,;11.8,-2.71,;12.98,-3.66,;13.22,-2.15,;8.83,-5.24,;6.66,-5.22,;6.67,-6.75,;8.01,-5.99,;9.35,-6.76,;9.33,-8.32,;10.86,-8.32,;7.98,-9.08,;7.81,-10.59,;6.38,-11.19,;8.35,-7.56,;7.61,-7.47,;4.01,-3.67,;2.69,-4.46,;2.69,-5.99,;1.37,-6.73,)| Show InChI InChI=1S/C23H28N2O3/c1-27-23-7-6-21(11-16(23)24)17-10-14-4-5-15(26)19-18(14)22(21,20(23)28-19)8-9-25(17)12-13-2-3-13/h4-7,13,16-17,20,26H,2-3,8-12,24H2,1H3/t16-,17+,20+,21+,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225933
(CHEMBL2310921)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](NC(=O)\C=C\C(=O)OC)C2(OC)C=C1)ccc3O |r,wU:23.26,22.21,7.5,wD:25.28,13.12,c:42,THB:26:25:22.7:39.38,16:15:23:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;.4,-3.16,;.79,-1.68,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-3.91,-4.04,;-5.25,-6.35,;-3.91,-7.12,;-3.91,-8.66,;-5.25,-9.43,;-2.58,-9.43,;-2.58,-10.97,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C28H32N2O6.C2H2O4/c1-34-22(33)8-7-21(32)29-19-14-26-9-10-28(19,35-2)25-27(26)11-12-30(15-16-3-4-16)20(26)13-17-5-6-18(31)24(36-25)23(17)27;3-1(4)2(5)6/h5-10,16,19-20,25,31H,3-4,11-15H2,1-2H3,(H,29,32);(H,3,4)(H,5,6)/b8-7+;/t19-,20+,25+,26+,27-,28?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM224024
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225935
(CHEMBL2310915)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](N=S)C2(OC)C=C1)ccc3O |r,wU:23.26,22.21,7.5,wD:25.28,13.12,c:35,THB:26:25:22.7:32.31,16:15:23:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;.4,-3.16,;.79,-1.68,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C23H26N2O3S.C2H2O4/c1-27-23-7-6-21(11-16(23)24-29)17-10-14-4-5-15(26)19-18(14)22(21,20(23)28-19)8-9-25(17)12-13-2-3-13;3-1(4)2(5)6/h4-7,13,16-17,20,26H,2-3,8-12H2,1H3;(H,3,4)(H,5,6)/t16-,17+,20+,21+,22-,23?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225936
(CHEMBL3038190)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](NC(=O)CBr)[C@]2(OC)C=C1)ccc3O |wU:16.16,1.0,wD:17.34,19.23,25.30,7.7,c:33,THB:10:9:17:4.5.6,(6.14,-10.1,;6.67,-8.3,;4.41,-8.24,;4.02,-6.76,;5.34,-6,;5.34,-4.44,;6.68,-3.67,;8.02,-4.44,;9.5,-4.84,;9.35,-3.68,;10.3,-2.47,;11.81,-2.71,;12.99,-3.67,;13.24,-2.15,;8.84,-5.24,;6.67,-5.23,;6.68,-6.76,;8.02,-6,;9.36,-6.77,;9.35,-8.33,;10.88,-8.33,;11.88,-9.45,;11.4,-10.92,;13.38,-9.15,;14.4,-10.28,;7.99,-9.09,;7.81,-10.6,;6.39,-11.21,;8.36,-7.57,;7.62,-7.47,;4.02,-3.68,;2.69,-4.47,;2.69,-6,;1.37,-6.74,)| Show InChI InChI=1S/C25H29BrN2O4/c1-31-25-7-6-23(11-17(25)27-19(30)12-26)18-10-15-4-5-16(29)21-20(15)24(23,22(25)32-21)8-9-28(18)13-14-2-3-14/h4-7,14,17-18,22,29H,2-3,8-13H2,1H3,(H,27,30)/t17-,18+,22+,23+,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50381677
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.70 | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/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 | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50297347
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/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/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50496873
(CHEMBL3228292)Show SMILES CC[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC(N)=O |r,TLB:17:16:2:5.11.4,10:11:2:14.15.16| Show InChI InChI=1S/C18H26N2O2/c1-3-14-16-10-12-4-5-13(21)11-15(12)18(14,2)7-9-20(16)8-6-17(19)22/h4-5,11,14,16,21H,3,6-10H2,1-2H3,(H2,19,22)/t14-,16?,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates |
J Med Chem 22: 889-90 (1979)
Article DOI: 10.1021/jm00193a028
BindingDB Entry DOI: 10.7270/Q2QZ2DXM |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50496877
(CHEMBL33376)Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2C |TLB:9:10:1:15.13.14| Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates |
J Med Chem 22: 889-90 (1979)
Article DOI: 10.1021/jm00193a028
BindingDB Entry DOI: 10.7270/Q2QZ2DXM |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50496881
(CHEMBL3228683)Show SMILES Cl.[H][C@@]12CCC[C@@]3([H])[C@@]4([H])Cc5cccc(O1)c5[C@@]23CCN4 |r| Show InChI InChI=1S/C16H19NO.ClH/c1-3-10-9-12-11-4-2-6-14-16(11,7-8-17-12)15(10)13(5-1)18-14;/h1,3,5,11-12,14,17H,2,4,6-9H2;1H/t11-,12+,14-,16+;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50138765
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/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/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50496874
(CHEMBL3228290)Show SMILES CC[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C |r,TLB:17:16:2:5.11.4,10:11:2:14.15.16| Show InChI InChI=1S/C16H23NO/c1-4-13-15-9-11-5-6-12(18)10-14(11)16(13,2)7-8-17(15)3/h5-6,10,13,15,18H,4,7-9H2,1-3H3/t13-,15?,16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates |
J Med Chem 22: 889-90 (1979)
Article DOI: 10.1021/jm00193a028
BindingDB Entry DOI: 10.7270/Q2QZ2DXM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM224024
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/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/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50496882
(CHEMBL3228681)Show SMILES Cl.[H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@@]5([H])CCC2=O |r,THB:13:12:18:17.8.9| Show InChI InChI=1S/C17H19NO2.ClH/c1-18-8-7-17-11-5-6-13(19)16(17)20-14-4-2-3-10(15(14)17)9-12(11)18;/h2-4,11-12,16H,5-9H2,1H3;1H/t11-,12+,16-,17-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50297347
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/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)) | BDBM50133049
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 29.4 | n/a | n/a | n/a | n/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)) | BDBM50133055
(CHEMBL441198 | Opioid Peptide [d-Ala(8)]Dynorphin ...)Show SMILES CC(C)C[C@H](NC(=O)[C@@](C)(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/C61H100N22O12/c1-35(2)30-45(81-57(95)61(4,32-38-14-6-5-7-15-38)82-48(86)34-74-47(85)33-75-51(89)40(63)31-37-21-23-39(84)24-22-37)54(92)79-43(18-11-27-72-59(67)68)53(91)78-42(17-10-26-71-58(65)66)52(90)76-36(3)50(88)80-44(19-12-28-73-60(69)70)56(94)83-29-13-20-46(83)55(93)77-41(49(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-46,84H,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,81,95)(H,82,86)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,61-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 36.5 | n/a | n/a | n/a | n/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)) | BDBM50133052
(CHEMBL430081 | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 46.9 | n/a | n/a | n/a | n/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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225940
(CHEMBL2310917)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]51C[C@H](N)C2(OC)C=C1)ccc3O |r,wU:22.24,21.19,7.5,wD:24.26,13.12,c:32,THB:25:24:21.7:30.29,16:15:22:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;-.29,-3.56,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C22H26N2O3.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,12-15(22)23)16(24)11-13;3-1(4)2(5)6/h3-7,15-16,19,25H,1,8-12,23H2,2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50496879
(CHEMBL3228679)Show SMILES Cl.[H][C@@]12Oc3cccc4C[C@@]5([H])NCC[C@@]1(c34)[C@@]5([H])CC[C@@H]2O |r| Show InChI InChI=1S/C16H19NO2.ClH/c18-12-5-4-10-11-8-9-2-1-3-13-14(9)16(10,6-7-17-11)15(12)19-13;/h1-3,10-12,15,17-18H,4-8H2;1H/t10-,11+,12-,15-,16-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to opioid receptor in rat brain homogenates |
J Med Chem 22: 256-9 (1979)
Article DOI: 10.1021/jm00189a007
BindingDB Entry DOI: 10.7270/Q2M61P72 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133050
(CHEMBL385696 | Opioid Peptide [d-Ala(8)]Dynorphin ...)Show SMILES CC(C)C[C@H](NC(=O)[C@]1(CCc2ccccc2C1)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/C62H100N22O12/c1-35(2)30-46(82-58(96)62(24-23-38-12-4-5-13-39(38)32-62)83-49(87)34-75-48(86)33-76-52(90)41(64)31-37-19-21-40(85)22-20-37)55(93)80-44(16-9-27-73-60(68)69)54(92)79-43(15-8-26-72-59(66)67)53(91)77-36(3)51(89)81-45(17-10-28-74-61(70)71)57(95)84-29-11-18-47(84)56(94)78-42(50(65)88)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,85H,6-11,14-18,23-34,63-64H2,1-3H3,(H2,65,88)(H,75,86)(H,76,90)(H,77,91)(H,78,94)(H,79,92)(H,80,93)(H,81,89)(H,82,96)(H,83,87)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t36-,41+,42+,43+,44+,45+,46+,47+,62-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 72.4 | n/a | n/a | n/a | n/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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225942
(CHEMBL2310916)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]51C[C@H](NC(=O)\C=C\C(=O)OC)C2(OC)C=C1)ccc3O |r,wU:22.24,21.19,7.5,wD:24.26,13.12,c:40,THB:25:24:21.7:38.37,16:15:22:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;-.29,-3.56,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-3.91,-4.04,;-5.25,-6.35,;-3.76,-6.75,;-3.36,-8.24,;-4.45,-9.32,;-1.87,-8.63,;-1.47,-10.12,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C27H30N2O6.C2H2O4/c1-4-12-29-13-11-26-22-16-5-6-17(30)23(22)35-24(26)27(34-3)10-9-25(26,19(29)14-16)15-18(27)28-20(31)7-8-21(32)33-2;3-1(4)2(5)6/h4-10,18-19,24,30H,1,11-15H2,2-3H3,(H,28,31);(H,3,4)(H,5,6)/b8-7+;/t18-,19+,24+,25+,26-,27?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair | |
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