BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 14661 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu/kappa/delta'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235813
PNG
(US9359399, 27)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C37H52N8O6/c1-24(2)21-29(32(47)40-28(15-9-10-18-38)34(49)45-19-16-37(17-20-45)35(50)43-36(51)44-37)42-33(48)30(23-26-13-7-4-8-14-26)41-31(46)27(39)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,38-39H2,1-2H3,(H,40,47)(H,41,46)(H,42,48)(H2,43,44,50,51)/t27-,28-,29-,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<0.00100n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235811
PNG
(US9359399, 25)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C38H55N7O5/c1-26(2)23-31(34(47)42-30(15-9-10-19-39)36(49)45-21-17-38(18-22-45)16-20-41-37(38)50)44-35(48)32(25-28-13-7-4-8-14-28)43-33(46)29(40)24-27-11-5-3-6-12-27/h3-8,11-14,26,29-32H,9-10,15-25,39-40H2,1-2H3,(H,41,50)(H,42,47)(H,43,46)(H,44,48)/t29-,30-,31-,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00270n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235815
PNG
(US9359399, 31)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c(C)nnc1C
Show InChI InChI=1S/C39H57N9O4/c1-26(2)23-34(44-38(51)35(25-30-15-9-6-10-16-30)43-36(49)32(41)24-29-13-7-5-8-14-29)37(50)42-33(17-11-12-20-40)39(52)47-21-18-31(19-22-47)48-27(3)45-46-28(48)4/h5-10,13-16,26,31-35H,11-12,17-25,40-41H2,1-4H3,(H,42,50)(H,43,49)(H,44,51)/t32-,33-,34-,35-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00420n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235816
PNG
(US9359399, 32)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1S/C43H57N7O5/c1-29(2)25-36(48-42(54)37(27-31-15-7-4-8-16-31)47-40(52)34(45)26-30-13-5-3-6-14-30)41(53)46-35(18-11-12-22-44)43(55)49-23-20-33(21-24-49)50-38-19-10-9-17-32(38)28-39(50)51/h3-10,13-17,19,29,33-37H,11-12,18,20-28,44-45H2,1-2H3,(H,46,53)(H,47,52)(H,48,54)/t34-,35-,36-,37-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00500n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235792
PNG
(US9359399, 36)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C42H56N8O5/c1-28(2)25-35(47-40(53)36(27-30-15-7-4-8-16-30)46-38(51)32(44)26-29-13-5-3-6-14-29)39(52)45-34(18-11-12-22-43)41(54)49-23-20-31(21-24-49)50-37-19-10-9-17-33(37)48-42(50)55/h3-10,13-17,19,28,31-32,34-36H,11-12,18,20-27,43-44H2,1-2H3,(H,45,52)(H,46,51)(H,47,53)(H,48,55)/t32-,34-,35-,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00520n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430586
PNG
(CHEMBL2338721)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C29H41NO4/c1-17(2)4-8-21(31)20-15-27-10-11-29(20,33-3)26-28(27)12-13-30(16-18-5-6-18)23(27)14-19-7-9-22(32)25(34-26)24(19)28/h7,9,17-18,20-21,23,26,31-32H,4-6,8,10-16H2,1-3H3/t20-,21+,23-,26-,27-,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00610n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235818
PNG
(US9359399, 35)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cnc(C)cn1
Show InChI InChI=1S/C36H50N8O4/c1-24(2)18-31(35(47)42-30(16-10-11-17-37)34(46)41-23-28-22-39-25(3)21-40-28)44-36(48)32(20-27-14-8-5-9-15-27)43-33(45)29(38)19-26-12-6-4-7-13-26/h4-9,12-15,21-22,24,29-32H,10-11,16-20,23,37-38H2,1-3H3,(H,41,46)(H,42,47)(H,43,45)(H,44,48)/t29-,30-,31-,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00640n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430613
PNG
(CHEMBL2338723)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H41NO4/c1-34-30-11-10-28(16-21(30)23(33)14-18-4-2-3-5-18)24-15-20-8-9-22(32)26-25(20)29(28,27(30)35-26)12-13-31(24)17-19-6-7-19/h8-9,18-19,21,23-24,27,32-33H,2-7,10-17H2,1H3/t21-,23+,24-,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00700n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430612
PNG
(CHEMBL2338724)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H43NO4/c1-35-31-13-12-29(17-22(31)23(33)10-8-19-4-2-3-5-19)25-16-21-9-11-24(34)27-26(21)30(29,28(31)36-27)14-15-32(25)18-20-6-7-20/h9,11,19-20,22-23,25,28,33-34H,2-8,10,12-18H2,1H3/t22-,23+,25-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00770n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235812
PNG
(US9359399, 26)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CCN(C)C2=O)CC1
Show InChI InChI=1S/C39H57N7O5/c1-27(2)24-32(35(48)42-31(16-10-11-20-40)37(50)46-22-18-39(19-23-46)17-21-45(3)38(39)51)44-36(49)33(26-29-14-8-5-9-15-29)43-34(47)30(41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,40-41H2,1-3H3,(H,42,48)(H,43,47)(H,44,49)/t30-,31-,32-,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00830n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235789
PNG
(US9359399, 28)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C42H55ClN8O5/c1-27(2)23-35(48-40(54)36(25-29-13-7-4-8-14-29)47-38(52)32(45)24-28-11-5-3-6-12-28)39(53)46-33(15-9-10-20-44)41(55)50-21-18-31(19-22-50)51-37-17-16-30(43)26-34(37)49-42(51)56/h3-8,11-14,16-17,26-27,31-33,35-36H,9-10,15,18-25,44-45H2,1-2H3,(H,46,53)(H,47,52)(H,48,54)(H,49,56)/t32-,33-,35-,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00830n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430611
PNG
(CHEMBL2338725)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H41NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h9-10,18-19,21,23,25,27,32-33H,2-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00980n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((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](CC(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(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<0.0100n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in CHO cells assessed as release of intracellular calcium ions by aequorin luminescence-based ...


Bioorg Med Chem Lett 18: 1350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.009
BindingDB Entry DOI: 10.7270/Q2QR4WWN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((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](CC(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(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<0.0100n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430622
PNG
(CHEMBL2338747)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H43NO4/c1-28(34,16-19-5-3-4-6-19)23-17-29-11-12-31(23,35-2)27-30(29)13-14-32(18-20-7-8-20)24(29)15-21-9-10-22(33)26(36-27)25(21)30/h9-10,19-20,23-24,27,33-34H,3-8,11-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0110n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235790
PNG
(US9359399, 30)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C44H58N8O5/c1-30(2)26-37(49-42(55)38(28-32-16-8-4-9-17-32)48-40(53)35(46)27-31-14-6-3-7-15-31)41(54)47-36(20-12-13-23-45)43(56)51-24-21-34(22-25-51)52-29-39(50-44(52)57)33-18-10-5-11-19-33/h3-11,14-19,29-30,34-38H,12-13,20-28,45-46H2,1-2H3,(H,47,54)(H,48,53)(H,49,55)(H,50,57)/t35-,36-,37-,38-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0116n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430587
PNG
(CHEMBL2338720)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C28H39NO4/c1-16(2)12-21(31)19-14-26-8-9-28(19,32-3)25-27(26)10-11-29(15-17-4-5-17)22(26)13-18-6-7-20(30)24(33-25)23(18)27/h6-7,16-17,19,21-22,25,30-31H,4-5,8-15H2,1-3H3/t19-,21+,22-,25-,26-,27+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0130n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235814
PNG
(US9359399, 29)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C40H59N7O6/c1-28(2)25-34(45-38(50)35(27-30-13-7-4-8-14-30)44-36(48)32(42)26-29-11-5-3-6-12-29)37(49)43-33(15-9-10-18-41)40(52)46-19-16-31(17-20-46)39(51)47-21-23-53-24-22-47/h3-8,11-14,28,31-35H,9-10,15-27,41-42H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)/t32-,33-,34-,35-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0145n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0160n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430601
PNG
(CHEMBL2338753)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C33H41NO4/c1-30(36,13-12-21-6-4-3-5-7-21)25-19-31-14-15-33(25,37-2)29-32(31)16-17-34(20-22-8-9-22)26(31)18-23-10-11-24(35)28(38-29)27(23)32/h3-7,10-11,22,25-26,29,35-36H,8-9,12-20H2,1-2H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0160n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235791
PNG
(US9359399, 33)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C43H58N8O5/c1-30(2)26-36(49-40(54)37(28-32-16-8-4-9-17-32)48-38(52)34(45)27-31-14-6-3-7-15-31)39(53)47-35(20-12-13-23-44)41(55)50-24-21-43(22-25-50)42(56)46-29-51(43)33-18-10-5-11-19-33/h3-11,14-19,30,34-37H,12-13,20-29,44-45H2,1-2H3,(H,46,56)(H,47,53)(H,48,52)(H,49,54)/t34-,35-,36-,37-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0165n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430619
PNG
(CHEMBL2338750)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H45NO4/c1-29(35,17-20-6-4-3-5-7-20)24-18-30-12-13-32(24,36-2)28-31(30)14-15-33(19-21-8-9-21)25(30)16-22-10-11-23(34)27(37-28)26(22)31/h10-11,20-21,24-25,28,34-35H,3-9,12-19H2,1-2H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0170n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50294426
PNG
(CHEMBL559518 | SN-11)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C27H28N2O/c30-21-8-7-18-13-26-23-12-20-11-19-3-1-2-4-24(19)28-25(20)15-27(23,22(18)14-21)9-10-29(26)16-17-5-6-17/h1-4,7-8,11,14,17,23,26,30H,5-6,9-10,12-13,15-16H2/t23-,26+,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0180n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50294426
PNG
(CHEMBL559518 | SN-11)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C27H28N2O/c30-21-8-7-18-13-26-23-12-20-11-19-3-1-2-4-24(19)28-25(20)15-27(23,22(18)14-21)9-10-29(26)16-17-5-6-17/h1-4,7-8,11,14,17,23,26,30H,5-6,9-10,12-13,15-16H2/t23-,26+,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0180n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50034553
PNG
(CHEMBL3359804)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1C#C
Show InChI InChI=1S/C25H28O8/c1-6-17-14(8-10-31-17)19-12-25(4)15(23(29)33-19)7-9-24(3)16(22(28)30-5)11-18(32-13(2)26)20(27)21(24)25/h1,8,10,15-16,18-19,21H,7,9,11-12H2,2-5H3/t15-,16-,18-,19-,21-,24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0190n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...


J Med Chem 57: 10464-75 (2014)


Article DOI: 10.1021/jm501521d
BindingDB Entry DOI: 10.7270/Q2J38V6P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430585
PNG
(CHEMBL2338722)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C29H39NO4/c1-33-29-11-10-27(15-20(29)24(32)18-4-2-3-5-18)22-14-19-8-9-21(31)25-23(19)28(27,26(29)34-25)12-13-30(22)16-17-6-7-17/h8-9,17-18,20,22,24,26,31-32H,2-7,10-16H2,1H3/t20-,22-,24+,26-,27-,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0200n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304490
PNG
(CHEMBL611926 | H-Tyr-c[D-Cys-Gly-Phe-Nle-Pro-Cys]-...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H64F6N10O9S2/c1-2-3-13-42-55(82)73-20-9-15-47(73)54(81)72-46(53(80)70-44(25-35-28-65-41-14-8-7-12-39(35)41)50(77)66-27-34-21-36(56(58,59)60)26-37(22-34)57(61,62)63)31-84-83-30-45(71-49(76)40(64)23-33-16-18-38(74)19-17-33)51(78)67-29-48(75)68-43(52(79)69-42)24-32-10-5-4-6-11-32/h4-8,10-12,14,16-19,21-22,26,28,40,42-47,65,74H,2-3,9,13,15,20,23-25,27,29-31,64H2,1H3,(H,66,77)(H,67,78)(H,68,75)(H,69,79)(H,70,80)(H,71,76)(H,72,81)/t40-,42-,43-,44-,45+,46-,47-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0200n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in HN9.10 cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem 17: 7337-43 (2009)


Article DOI: 10.1016/j.bmc.2009.08.035
BindingDB Entry DOI: 10.7270/Q2CJ8DK5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM235817
PNG
(US9359399, 34)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cn2ccccc2n1
Show InChI InChI=1S/C38H50N8O4/c1-26(2)21-32(37(49)43-31(17-9-11-19-39)36(48)41-24-29-25-46-20-12-10-18-34(46)42-29)45-38(50)33(23-28-15-7-4-8-16-28)44-35(47)30(40)22-27-13-5-3-6-14-27/h3-8,10,12-16,18,20,25-26,30-33H,9,11,17,19,21-24,39-40H2,1-2H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,31-,32-,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0208n/an/an/a25



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)


BindingDB Entry DOI: 10.7270/Q23B5Z2C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0250n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
BindingDB Entry DOI: 10.7270/Q2ZK5HJF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430621
PNG
(CHEMBL2338748)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H45NO4/c1-29(35,12-11-20-5-3-4-6-20)24-18-30-13-14-32(24,36-2)28-31(30)15-16-33(19-21-7-8-21)25(30)17-22-9-10-23(34)27(37-28)26(22)31/h9-10,20-21,24-25,28,34-35H,3-8,11-19H2,1-2H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0270n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430610
PNG
(CHEMBL2338726)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H43NO4/c1-35-31-12-11-29(17-22(31)24(34)15-19-5-3-2-4-6-19)25-16-21-9-10-23(33)27-26(21)30(29,28(31)36-27)13-14-32(25)18-20-7-8-20/h9-10,19-20,22,24-25,28,33-34H,2-8,11-18H2,1H3/t22-,24+,25-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0290n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (Human))
BDBM309432
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(3,4-dic...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C27H30Cl2N2O3/c28-22-6-3-17(9-23(22)29)14-30-25(33)19-12-26-7-8-31(15-16-1-2-16)24(27(26,34)13-19)10-18-4-5-20(32)11-21(18)26/h3-6,9,11,16,19,24,32,34H,1-2,7-8,10,12-15H2,(H,30,33)/t19-,24+,26+,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0300n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 μg...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0300n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...


J Med Chem 57: 10464-75 (2014)


Article DOI: 10.1021/jm501521d
BindingDB Entry DOI: 10.7270/Q2J38V6P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430620
PNG
(CHEMBL2338749)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C31H43NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h10-11,19,21,23-24,27,33-34H,3-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0310n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50102833
PNG
(CHEMBL3339378)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H31N3O4/c33-20-9-8-19-14-21-29-11-10-28(35,24(31-29)25(34)30-15-17-4-2-1-3-5-17)26-27(29,22(19)23(20)36-26)12-13-32(21)16-18-6-7-18/h1-5,8-9,18,21,26,33,35H,6-7,10-16H2,(H,30,34)/t21?,26?,27?,28-,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0330n/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0340n/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in human HEK293 cells after 30 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 5326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.040
BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430614
PNG
(CHEMBL2338719)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C27H37NO4/c1-15(2)22(30)18-13-25-8-9-27(18,31-3)24-26(25)10-11-28(14-16-4-5-16)20(25)12-17-6-7-19(29)23(32-24)21(17)26/h6-7,15-16,18,20,22,24,29-30H,4-5,8-14H2,1-3H3/t18-,20-,22+,24-,25-,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0350n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0390n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50084278
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0400n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)


Article DOI: 10.1021/jm991165p
BindingDB Entry DOI: 10.7270/Q2XS5W3X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216132
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1Br
Show InChI InChI=1S/C23H27BrO8/c1-11(25)31-15-9-14(20(27)29-4)22(2)7-5-13-21(28)32-16(12-6-8-30-19(12)24)10-23(13,3)18(22)17(15)26/h6,8,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0400n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...


J Med Chem 57: 10464-75 (2014)


Article DOI: 10.1021/jm501521d
BindingDB Entry DOI: 10.7270/Q2J38V6P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430618
PNG
(CHEMBL2338751)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C33H47NO4/c1-30(36,13-12-21-6-4-3-5-7-21)25-19-31-14-15-33(25,37-2)29-32(31)16-17-34(20-22-8-9-22)26(31)18-23-10-11-24(35)28(38-29)27(23)32/h10-11,21-22,25-26,29,35-36H,3-9,12-20H2,1-2H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0410n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430593
PNG
(CHEMBL2338739)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C29H41NO4/c1-17(2)4-8-21(31)20-15-27-10-11-29(20,33-3)26-28(27)12-13-30(16-18-5-6-18)23(27)14-19-7-9-22(32)25(34-26)24(19)28/h7,9,17-18,20-21,23,26,31-32H,4-6,8,10-16H2,1-3H3/t20-,21-,23-,26-,27-,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0420n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430609
PNG
(CHEMBL2338727)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H45NO4/c1-36-32-14-13-30(18-23(32)24(34)11-9-20-5-3-2-4-6-20)26-17-22-10-12-25(35)28-27(22)31(30,29(32)37-28)15-16-33(26)19-21-7-8-21/h10,12,20-21,23-24,26,29,34-35H,2-9,11,13-19H2,1H3/t23-,24+,26-,29-,30-,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0470n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50294428
PNG
(CHEMBL552308 | SN-28)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-17(10-16-4-2-3-5-21(16)25-22)11-20(24)23(26)12-15-6-7-18(27)13-19(15)24/h2-7,10,13,20,23,27H,8-9,11-12,14H2,1H3/t20-,23+,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0470n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50294428
PNG
(CHEMBL552308 | SN-28)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-17(10-16-4-2-3-5-21(16)25-22)11-20(24)23(26)12-15-6-7-18(27)13-19(15)24/h2-7,10,13,20,23,27H,8-9,11-12,14H2,1H3/t20-,23+,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0470n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176369
PNG
(CHEMBL201884 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1
Show InChI InChI=1S/C21H27N3O2/c1-23(21(26)14-22-18-10-6-3-7-11-18)20(17-8-4-2-5-9-17)16-24-13-12-19(25)15-24/h2-11,19-20,22,25H,12-16H2,1H3/t19-,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0500n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in a [35S]GTPgammaS functional assay


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
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
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0500n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0500n/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430606
PNG
(CHEMBL2338714 | Isopentyl Orvinol M320)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H41NO4/c1-18(2)9-10-27(3,33)22-16-28-11-12-30(22,34-4)26-29(28)13-14-31(17-19-5-6-19)23(28)15-20-7-8-21(32)25(35-26)24(20)29/h7-8,11-12,18-19,22-23,26,32-33H,5-6,9-10,13-17H2,1-4H3/t22-,23-,26-,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0510n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430615
PNG
(CHEMBL2338718)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H39NO4/c1-36-32-14-13-30(18-23(32)24(34)11-9-20-5-3-2-4-6-20)26-17-22-10-12-25(35)28-27(22)31(30,29(32)37-28)15-16-33(26)19-21-7-8-21/h2-6,10,12,21,23-24,26,29,34-35H,7-9,11,13-19H2,1H3/t23-,24-,26-,29-,30-,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0520n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 14661 total )  |  Next  |  Last  >>
Jump to: