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Compile Data Set for Download or QSAR

Found 20164 hits Enz. Inhib. hit(s) with Target = 'Opioid receptor'   
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
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221797
PNG
(CHEMBL274663)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H28N4O4/c1-15(26-22(30)19(23)13-17-7-9-18(27)10-8-17)21(29)25-14-20(28)24-12-11-16-5-3-2-4-6-16/h2-10,15,19,27H,11-14,23H2,1H3,(H,24,28)(H,25,29)(H,26,30)/t15-,19-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221799
PNG
(CHEMBL2369922)
Show SMILES CC(C)[C@H](NC(=O)[C@](C)(Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)24(27(39)40)33-28(41)29(4,15-20-8-6-5-7-9-20)34-23(36)16-31-25(37)18(3)32-26(38)22(30)14-19-10-12-21(35)13-11-19/h5-13,17-18,22,24,35H,14-16,30H2,1-4H3,(H,31,37)(H,32,38)(H,33,41)(H,34,36)(H,39,40)/t18-,22+,24+,29+/m1/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221793
PNG
(CHEMBL2369921)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-14(26-23(31)19(24)12-15-6-9-17(28)10-7-15)22(30)25-13-21(29)27-20-11-8-16-4-2-3-5-18(16)20/h2-7,9-10,14,19-20,28H,8,11-13,24H2,1H3,(H,25,30)(H,26,31)(H,27,29)/t14-,19+,20?/m1/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221788
PNG
(CHEMBL2369900)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6S/c1-18(2)26(36-28(40)22(31)15-20-9-11-21(37)12-10-20)30(42)33-17-25(38)34-24(16-19-7-5-4-6-8-19)29(41)35-23(27(32)39)13-14-43-3/h4-12,18,22-24,26,37H,13-17,31H2,1-3H3,(H2,32,39)(H,33,42)(H,34,38)(H,35,41)(H,36,40)/t22-,23+,24+,26-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221789
PNG
(CHEMBL14570)
Show SMILES CC(C)C[C@@H](NC(=O)[C@](C)(Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)34-29(42)30(4,16-21-8-6-5-7-9-21)35-25(37)17-32-26(38)19(3)33-27(39)23(31)15-20-10-12-22(36)13-11-20/h5-13,18-19,23-24,36H,14-17,31H2,1-4H3,(H,32,38)(H,33,39)(H,34,42)(H,35,37)(H,40,41)/t19-,23-,24+,30-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221792
PNG
(CHEMBL14211)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1S/C21H26N4O4/c1-14(25-21(29)18(22)11-15-7-9-17(26)10-8-15)20(28)24-13-19(27)23-12-16-5-3-2-4-6-16/h2-10,14,18,26H,11-13,22H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t14-,18-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(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
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
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221802
PNG
(CHEMBL13767)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H45N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h9-12,17-19,22-24,35H,4-8,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22-,23-,24-/m0/s1
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n/an/an/an/a 0.00000100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221804
PNG
(CHEMBL13834)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25N3O6/c1-14(25-21(29)18(23)11-15-7-9-17(26)10-8-15)20(28)24-12-19(27)22(30)31-13-16-5-3-2-4-6-16/h2-10,14,18,26H,11-13,23H2,1H3,(H,24,28)(H,25,29)/t14-,18-/m0/s1
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n/an/an/an/a 0.00000100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221790
PNG
(CHEMBL274575)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCC1CCC1
Show InChI InChI=1S/C19H28N4O4/c1-12(18(26)22-11-17(25)21-10-14-3-2-4-14)23-19(27)16(20)9-13-5-7-15(24)8-6-13/h5-8,12,14,16,24H,2-4,9-11,20H2,1H3,(H,21,25)(H,22,26)(H,23,27)/t12-,16-/m0/s1
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n/an/an/an/a 0.00000200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221794
PNG
(CHEMBL13688)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCC1CC1
Show InChI InChI=1S/C18H26N4O4/c1-11(17(25)21-10-16(24)20-9-13-2-3-13)22-18(26)15(19)8-12-4-6-14(23)7-5-12/h4-7,11,13,15,23H,2-3,8-10,19H2,1H3,(H,20,24)(H,21,25)(H,22,26)/t11-,15-/m0/s1
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n/an/an/an/a 0.00000200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221801
PNG
(CHEMBL2369909)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C25H32N4O4/c1-15(2)23(29-24(32)20(26)13-16-7-10-18(30)11-8-16)25(33)27-14-22(31)28-21-12-9-17-5-3-4-6-19(17)21/h3-8,10-11,15,20-21,23,30H,9,12-14,26H2,1-2H3,(H,27,33)(H,28,31)(H,29,32)/t20-,21?,23-/m0/s1
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n/an/an/an/a 0.00000500n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221800
PNG
(CHEMBL13713)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C23H28N4O4/c1-14(26-23(31)20(24)10-15-6-8-19(28)9-7-15)22(30)25-13-21(29)27-18-11-16-4-2-3-5-17(16)12-18/h2-9,14,18,20,28H,10-13,24H2,1H3,(H,25,30)(H,26,31)(H,27,29)/t14-,20-/m0/s1
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n/an/an/an/a 0.0000190n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221791
PNG
(CHEMBL273288)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C22H26N4O4/c23-18(11-14-5-8-16(27)9-6-14)22(30)25-12-20(28)24-13-21(29)26-19-10-7-15-3-1-2-4-17(15)19/h1-6,8-9,18-19,27H,7,10-13,23H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19?/m0/s1
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n/an/an/an/a 0.0000340n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221795
PNG
(CHEMBL13665)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@](C)(N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)35-27(39)23(15-20-8-6-5-7-9-20)34-25(37)17-32-26(38)19(3)33-29(42)30(4,31)16-21-10-12-22(36)13-11-21/h5-13,18-19,23-24,36H,14-17,31H2,1-4H3,(H,32,38)(H,33,42)(H,34,37)(H,35,39)(H,40,41)/t19-,23+,24+,30+/m0/s1
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n/an/an/an/a>0.000650n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221803
PNG
(CHEMBL274367)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C14H19N3O5/c1-8(13(21)16-7-12(19)20)17-14(22)11(15)6-9-2-4-10(18)5-3-9/h2-5,8,11,18H,6-7,15H2,1H3,(H,16,21)(H,17,22)(H,19,20)/t8-,11-/m0/s1
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n/an/an/an/a 0.000700n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221796
PNG
(CHEMBL2369920)
Show SMILES CCOC(=O)CC[C@H](N)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C27H41N5O8/c1-5-40-23(34)12-11-19(28)25(36)30-17(4)24(35)29-15-22(33)31-20(14-18-9-7-6-8-10-18)26(37)32-21(27(38)39)13-16(2)3/h6-10,16-17,19-21H,5,11-15,28H2,1-4H3,(H,29,35)(H,30,36)(H,31,33)(H,32,37)(H,38,39)/t17-,19+,20+,21-/m1/s1
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n/an/an/an/a 0.000760n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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n/an/an/an/a>0.00100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
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
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n/an/an/an/a 0.00560n/an/an/an/a



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))
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
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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
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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 (KOR)


(Mus musculus (Mouse))
BDBM235795
PNG
(US9359399, 7)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCCNCC1
Show InChI InChI=1S/C35H53N9O4/c1-24(2)21-29(32(46)41-28(15-9-17-40-35(37)38)34(48)44-19-10-16-39-18-20-44)43-33(47)30(23-26-13-7-4-8-14-26)42-31(45)27(36)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30,39H,9-10,15-23,36H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)(H4,37,38,40)/t27-,28-,29-,30-/m1/s1
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n/an/an/an/a 0.0120n/an/an/an/a



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
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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
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
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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
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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 (KOR)


(Mus musculus (Mouse))
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
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n/an/an/an/a 0.0194n/an/an/an/a



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


(MOUSE)
BDBM50142622
PNG
(CHEMBL3758292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26+/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vas deferens


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


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


(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
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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 (KOR)


(Mus musculus (Mouse))
BDBM235803
PNG
(US9359399, 16)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1S/C37H57N11O4/c1-25(2)22-30(33(50)44-29(16-9-10-17-43-36(39)40)35(52)47-18-11-19-48(21-20-47)37(41)42)46-34(51)31(24-27-14-7-4-8-15-27)45-32(49)28(38)23-26-12-5-3-6-13-26/h3-8,12-15,25,28-31H,9-11,16-24,38H2,1-2H3,(H3,41,42)(H,44,50)(H,45,49)(H,46,51)(H4,39,40,43)/t28-,29-,30-,31-/m1/s1
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n/an/an/an/a 0.0210n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
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
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n/an/an/an/a 0.0216n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
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
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n/an/an/an/a 0.0234n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235802
PNG
(US9359399, 15)
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)N1CCCN(CC1)C(N)=N
Show InChI InChI=1S/C36H55N9O4/c1-25(2)22-30(33(47)41-29(16-9-10-17-37)35(49)44-18-11-19-45(21-20-44)36(39)40)43-34(48)31(24-27-14-7-4-8-15-27)42-32(46)28(38)23-26-12-5-3-6-13-26/h3-8,12-15,25,28-31H,9-11,16-24,37-38H2,1-2H3,(H3,39,40)(H,41,47)(H,42,46)(H,43,48)/t28-,29-,30-,31-/m1/s1
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n/an/an/an/a 0.0280n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
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
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n/an/an/an/a 0.0314n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235786
PNG
(US9359399, 13)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C39H57N9O6/c1-25(2)22-31(46-36(51)32(24-27-12-7-4-8-13-27)45-34(49)29(40)23-26-10-5-3-6-11-26)35(50)44-30(15-18-43-39(41)42)37(52)47-20-16-28(17-21-47)48-19-9-14-33(48)38(53)54/h3-8,10-13,25,28-33H,9,14-24,40H2,1-2H3,(H,44,50)(H,45,49)(H,46,51)(H,53,54)(H4,41,42,43)/t29-,30-,31-,32-,33+/m1/s1
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n/an/an/an/a 0.0320n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235784
PNG
(US9359399, 5)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C41H61N9O6/c1-27(2)24-33(48-38(53)34(26-29-14-7-4-8-15-29)47-36(51)31(42)25-28-12-5-3-6-13-28)37(52)46-32(16-9-10-20-45-41(43)44)39(54)49-22-18-30(19-23-49)50-21-11-17-35(50)40(55)56/h3-8,12-15,27,30-35H,9-11,16-26,42H2,1-2H3,(H,46,52)(H,47,51)(H,48,53)(H,55,56)(H4,43,44,45)/t31-,32-,33-,34-,35+/m1/s1
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n/an/an/an/a 0.0340n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
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
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n/an/an/an/a 0.0359n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235794
PNG
(US9359399, 6)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C41H61N7O6/c1-28(2)25-34(46-39(51)35(27-30-15-8-5-9-16-30)45-37(49)32(42)26-29-13-6-4-7-14-29)38(50)44-33(17-10-11-21-43-3)40(52)47-23-19-31(20-24-47)48-22-12-18-36(48)41(53)54/h4-9,13-16,28,31-36,43H,10-12,17-27,42H2,1-3H3,(H,44,50)(H,45,49)(H,46,51)(H,53,54)/t32-,33-,34-,35-,36+/m1/s1
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n/an/an/an/a 0.0360n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235810
PNG
(US9359399, 24)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1S/C36H55N11O4/c1-24(2)21-29(32(49)43-28(15-9-16-42-35(38)39)34(51)46-17-10-18-47(20-19-46)36(40)41)45-33(50)30(23-26-13-7-4-8-14-26)44-31(48)27(37)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37H2,1-2H3,(H3,40,41)(H,43,49)(H,44,48)(H,45,50)(H4,38,39,42)/t27-,28-,29-,30-/m1/s1
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n/an/an/an/a 0.0360n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235804
PNG
(US9359399, 17)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1S/C39H61N9O4/c1-27(2)24-33(36(50)44-32(18-11-12-19-43-28(3)4)38(52)47-20-13-21-48(23-22-47)39(41)42)46-37(51)34(26-30-16-9-6-10-17-30)45-35(49)31(40)25-29-14-7-5-8-15-29/h5-10,14-17,27-28,31-34,43H,11-13,18-26,40H2,1-4H3,(H3,41,42)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33-,34-/m1/s1
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n/an/an/an/a 0.0390n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235787
PNG
(US9359399, 1)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1S/C37H57N9O4/c1-26(2)23-31(34(48)42-30(17-10-11-18-41-3)36(50)45-19-12-20-46(22-21-45)37(39)40)44-35(49)32(25-28-15-8-5-9-16-28)43-33(47)29(38)24-27-13-6-4-7-14-27/h4-9,13-16,26,29-32,41H,10-12,17-25,38H2,1-3H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)/t29-,30-,31-,32-/m1/s1
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n/an/an/an/a 0.0430n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235796
PNG
(US9359399, 8)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1S/C37H55N9O6/c1-24(2)21-29(32(48)43-28(15-9-10-18-42-36(39)40)34(50)46-19-16-37(41,17-20-46)35(51)52)45-33(49)30(23-26-13-7-4-8-14-26)44-31(47)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,38,41H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)(H,51,52)(H4,39,40,42)/t27-,28-,29-,30-/m1/s1
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n/an/an/an/a 0.0430n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
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
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n/an/an/an/a 0.0464n/an/an/an/a



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))
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
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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
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
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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
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235785
PNG
(US9359399, 2)
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(N)(CC1)C(O)=O
Show InChI InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1
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n/an/an/an/a 0.0480n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
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
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n/an/an/an/a 0.0485n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235793
PNG
(US9359399, 3)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1S/C37H55N7O6/c1-25(2)22-30(33(46)41-29(16-10-11-19-40-3)35(48)44-20-17-37(39,18-21-44)36(49)50)43-34(47)31(24-27-14-8-5-9-15-27)42-32(45)28(38)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-31,40H,10-11,16-24,38-39H2,1-3H3,(H,41,46)(H,42,45)(H,43,47)(H,49,50)/t28-,29-,30-,31-/m1/s1
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n/an/an/an/a 0.0520n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235799
PNG
(US9359399, 11)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1S/C35H51N9O6/c1-22(2)19-27(30(46)41-26(13-16-40-34(37)38)32(48)44-17-14-35(39,15-18-44)33(49)50)43-31(47)28(21-24-11-7-4-8-12-24)42-29(45)25(36)20-23-9-5-3-6-10-23/h3-12,22,25-28H,13-21,36,39H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)(H,49,50)(H4,37,38,40)/t25-,26-,27-,28-/m1/s1
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n/an/an/an/a 0.0520n/an/an/an/a



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 (KOR)


(Mus musculus (Mouse))
BDBM235800
PNG
(US9359399, 12)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCN)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C38H55N7O6/c1-25(2)22-31(35(47)41-30(15-18-39)37(49)44-20-16-28(17-21-44)45-19-9-14-33(45)38(50)51)43-36(48)32(24-27-12-7-4-8-13-27)42-34(46)29(40)23-26-10-5-3-6-11-26/h3-8,10-13,25,28-33H,9,14-24,39-40H2,1-2H3,(H,41,47)(H,42,46)(H,43,48)(H,50,51)/t29-,30-,31-,32-,33+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 0.0550n/an/an/an/a



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
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