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PubMed code 17981041

Compile data set for download or QSAR
Found 79 hits of Enzyme Inhibition Constant Data   
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))
BDBM50374645
PNG
(CHEMBL272939)
Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374634
PNG
(CHEMBL258098)
Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374633
PNG
(CHEMBL271078)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-14(2)31-13-32-18-10-17(22(27)29-5)24(3)8-6-16-23(28)33-19(15-7-9-30-12-15)11-25(16,4)21(24)20(18)26/h7,9,12,14,16-19,21H,6,8,10-11,13H2,1-5H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374637
PNG
(CHEMBL271077)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31FO8/c1-23-6-4-15-22(28)33-18(14-5-8-30-12-14)11-24(15,2)20(23)19(26)17(32-13-31-9-7-25)10-16(23)21(27)29-3/h5,8,12,15-18,20H,4,6-7,9-11,13H2,1-3H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374638
PNG
(CHEMBL258285)
Show SMILES CCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-5-9-31-14-32-18-11-17(22(27)29-4)24(2)8-6-16-23(28)33-19(15-7-10-30-13-15)12-25(16,3)21(24)20(18)26/h7,10,13,16-19,21H,5-6,8-9,11-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
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 |r|
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
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2.40n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374629
PNG
(CHEMBL403137)
Show SMILES COC(=O)[C@@H]1C[C@H](OC2CCCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |w:8.7|
Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20?,22-,25-,26-/m0/s1
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4n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374640
PNG
(CHEMBL255139)
Show SMILES CCCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H36O8/c1-5-6-10-32-15-33-19-12-18(23(28)30-4)25(2)9-7-17-24(29)34-20(16-8-11-31-14-16)13-26(17,3)22(25)21(19)27/h8,11,14,17-20,22H,5-7,9-10,12-13,15H2,1-4H3/t17-,18-,19-,20-,22-,25-,26-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374630
PNG
(CHEMBL556996)
Show SMILES CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14?,16-,17-,18-,19-,21-,24-,25-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374635
PNG
(CHEMBL257922)
Show SMILES CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |w:3.3|
Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14?,16-,17-,18-,19-,21-,24-,25-/m0/s1
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11n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374631
PNG
(CHEMBL403658)
Show SMILES COC(=O)[C@@H]1C[C@H](OCSC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H30O7S/c1-22-7-5-14-21(26)30-17(13-6-8-28-11-13)10-23(14,2)19(22)18(24)16(29-12-31-4)9-15(22)20(25)27-3/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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13n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374643
PNG
(CHEMBL272482)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC(F)(F)F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H29F3O8/c1-22-6-4-14-21(30)35-17(13-5-7-32-10-13)9-23(14,2)19(22)18(28)16(8-15(22)20(29)31-3)34-12-33-11-24(25,26)27/h5,7,10,14-17,19H,4,6,8-9,11-12H2,1-3H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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31n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374644
PNG
(CHEMBL271285)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C26H36O8/c1-24(2,3)33-14-32-18-11-17(22(28)30-6)25(4)9-7-16-23(29)34-19(15-8-10-31-13-15)12-26(16,5)21(25)20(18)27/h8,10,13,16-19,21H,7,9,11-12,14H2,1-6H3/t16-,17-,18-,19-,21-,25-,26-/m0/s1
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35n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374641
PNG
(CHEMBL270844)
Show SMILES COC(=O)[C@@H]1C[C@H](OCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C22H27FO7/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10,13-16,18H,4,6,8-9,11H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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50n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374639
PNG
(CHEMBL429026)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)(C)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-23(2,30-6)33-17-11-16(21(27)29-5)24(3)9-7-15-22(28)32-18(14-8-10-31-13-14)12-25(15,4)20(24)19(17)26/h8,10,13,15-18,20H,7,9,11-12H2,1-6H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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72n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374632
PNG
(CHEMBL272483)
Show SMILES COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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141n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374636
PNG
(CHEMBL271061)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C29H34O8/c1-28-11-9-20-27(32)37-23(19-10-12-34-16-19)14-29(20,2)25(28)24(30)22(13-21(28)26(31)33-3)36-17-35-15-18-7-5-4-6-8-18/h4-8,10,12,16,20-23,25H,9,11,13-15,17H2,1-3H3/t20-,21-,22-,23-,25-,28-,29-/m0/s1
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147n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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 |r|
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
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374630
PNG
(CHEMBL556996)
Show SMILES CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14?,16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374634
PNG
(CHEMBL258098)
Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374639
PNG
(CHEMBL429026)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)(C)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-23(2,30-6)33-17-11-16(21(27)29-5)24(3)9-7-15-22(28)32-18(14-8-10-31-13-14)12-25(15,4)20(24)19(17)26/h8,10,13,15-18,20H,7,9,11-12H2,1-6H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374632
PNG
(CHEMBL272483)
Show SMILES COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374643
PNG
(CHEMBL272482)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC(F)(F)F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H29F3O8/c1-22-6-4-14-21(30)35-17(13-5-7-32-10-13)9-23(14,2)19(22)18(28)16(8-15(22)20(29)31-3)34-12-33-11-24(25,26)27/h5,7,10,14-17,19H,4,6,8-9,11-12H2,1-3H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374637
PNG
(CHEMBL271077)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31FO8/c1-23-6-4-15-22(28)33-18(14-5-8-30-12-14)11-24(15,2)20(23)19(26)17(32-13-31-9-7-25)10-16(23)21(27)29-3/h5,8,12,15-18,20H,4,6-7,9-11,13H2,1-3H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


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


(Homo sapiens (Human))
BDBM50374642
PNG
(CHEMBL402074)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H40O8Si/c1-26-9-7-18-25(30)35-21(17-8-10-32-15-17)14-27(18,2)23(26)22(28)20(13-19(26)24(29)31-3)34-16-33-11-12-36(4,5)6/h8,10,15,18-21,23H,7,9,11-14,16H2,1-6H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374642
PNG
(CHEMBL402074)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H40O8Si/c1-26-9-7-18-25(30)35-21(17-8-10-32-15-17)14-27(18,2)23(26)22(28)20(13-19(26)24(29)31-3)34-16-33-11-12-36(4,5)6/h8,10,15,18-21,23H,7,9,11-14,16H2,1-6H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374631
PNG
(CHEMBL403658)
Show SMILES COC(=O)[C@@H]1C[C@H](OCSC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H30O7S/c1-22-7-5-14-21(26)30-17(13-6-8-28-11-13)10-23(14,2)19(22)18(24)16(29-12-31-4)9-15(22)20(25)27-3/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374632
PNG
(CHEMBL272483)
Show SMILES COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374643
PNG
(CHEMBL272482)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC(F)(F)F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H29F3O8/c1-22-6-4-14-21(30)35-17(13-5-7-32-10-13)9-23(14,2)19(22)18(28)16(8-15(22)20(29)31-3)34-12-33-11-24(25,26)27/h5,7,10,14-17,19H,4,6,8-9,11-12H2,1-3H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374638
PNG
(CHEMBL258285)
Show SMILES CCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-5-9-31-14-32-18-11-17(22(27)29-4)24(2)8-6-16-23(28)33-19(15-7-10-30-13-15)12-25(16,3)21(24)20(18)26/h7,10,13,16-19,21H,5-6,8-9,11-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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 |r|
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
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374636
PNG
(CHEMBL271061)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C29H34O8/c1-28-11-9-20-27(32)37-23(19-10-12-34-16-19)14-29(20,2)25(28)24(30)22(13-21(28)26(31)33-3)36-17-35-15-18-7-5-4-6-8-18/h4-8,10,12,16,20-23,25H,9,11,13-15,17H2,1-3H3/t20-,21-,22-,23-,25-,28-,29-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374642
PNG
(CHEMBL402074)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H40O8Si/c1-26-9-7-18-25(30)35-21(17-8-10-32-15-17)14-27(18,2)23(26)22(28)20(13-19(26)24(29)31-3)34-16-33-11-12-36(4,5)6/h8,10,15,18-21,23H,7,9,11-14,16H2,1-6H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374644
PNG
(CHEMBL271285)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C26H36O8/c1-24(2,3)33-14-32-18-11-17(22(28)30-6)25(4)9-7-16-23(29)34-19(15-8-10-31-13-15)12-26(16,5)21(25)20(18)27/h8,10,13,16-19,21H,7,9,11-12,14H2,1-6H3/t16-,17-,18-,19-,21-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374629
PNG
(CHEMBL403137)
Show SMILES COC(=O)[C@@H]1C[C@H](OC2CCCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |w:8.7|
Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20?,22-,25-,26-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374644
PNG
(CHEMBL271285)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C26H36O8/c1-24(2,3)33-14-32-18-11-17(22(28)30-6)25(4)9-7-16-23(29)34-19(15-8-10-31-13-15)12-26(16,5)21(25)20(18)27/h8,10,13,16-19,21H,7,9,11-12,14H2,1-6H3/t16-,17-,18-,19-,21-,25-,26-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374633
PNG
(CHEMBL271078)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-14(2)31-13-32-18-10-17(22(27)29-5)24(3)8-6-16-23(28)33-19(15-7-9-30-12-15)11-25(16,4)21(24)20(18)26/h7,9,12,14,16-19,21H,6,8,10-11,13H2,1-5H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374640
PNG
(CHEMBL255139)
Show SMILES CCCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H36O8/c1-5-6-10-32-15-33-19-12-18(23(28)30-4)25(2)9-7-17-24(29)34-20(16-8-11-31-14-16)13-26(17,3)22(25)21(19)27/h8,11,14,17-20,22H,5-7,9-10,12-13,15H2,1-4H3/t17-,18-,19-,20-,22-,25-,26-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374629
PNG
(CHEMBL403137)
Show SMILES COC(=O)[C@@H]1C[C@H](OC2CCCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |w:8.7|
Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20?,22-,25-,26-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374631
PNG
(CHEMBL403658)
Show SMILES COC(=O)[C@@H]1C[C@H](OCSC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H30O7S/c1-22-7-5-14-21(26)30-17(13-6-8-28-11-13)10-23(14,2)19(22)18(24)16(29-12-31-4)9-15(22)20(25)27-3/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374636
PNG
(CHEMBL271061)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C29H34O8/c1-28-11-9-20-27(32)37-23(19-10-12-34-16-19)14-29(20,2)25(28)24(30)22(13-21(28)26(31)33-3)36-17-35-15-18-7-5-4-6-8-18/h4-8,10,12,16,20-23,25H,9,11,13-15,17H2,1-3H3/t20-,21-,22-,23-,25-,28-,29-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374639
PNG
(CHEMBL429026)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)(C)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-23(2,30-6)33-17-11-16(21(27)29-5)24(3)9-7-15-22(28)32-18(14-8-10-31-13-14)12-25(15,4)20(24)19(17)26/h8,10,13,15-18,20H,7,9,11-12H2,1-6H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374633
PNG
(CHEMBL271078)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-14(2)31-13-32-18-10-17(22(27)29-5)24(3)8-6-16-23(28)33-19(15-7-9-30-12-15)11-25(16,4)21(24)20(18)26/h7,9,12,14,16-19,21H,6,8,10-11,13H2,1-5H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374645
PNG
(CHEMBL272939)
Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374630
PNG
(CHEMBL556996)
Show SMILES CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14?,16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374641
PNG
(CHEMBL270844)
Show SMILES COC(=O)[C@@H]1C[C@H](OCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C22H27FO7/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10,13-16,18H,4,6,8-9,11H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374645
PNG
(CHEMBL272939)
Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374641
PNG
(CHEMBL270844)
Show SMILES COC(=O)[C@@H]1C[C@H](OCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C22H27FO7/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10,13-16,18H,4,6,8-9,11H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374637
PNG
(CHEMBL271077)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31FO8/c1-23-6-4-15-22(28)33-18(14-5-8-30-12-14)11-24(15,2)20(23)19(26)17(32-13-31-9-7-25)10-16(23)21(27)29-3/h5,8,12,15-18,20H,4,6-7,9-11,13H2,1-3H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374635
PNG
(CHEMBL257922)
Show SMILES CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |w:3.3|
Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14?,16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374635
PNG
(CHEMBL257922)
Show SMILES CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |w:3.3|
Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14?,16-,17-,18-,19-,21-,24-,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50374640
PNG
(CHEMBL255139)
Show SMILES CCCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H36O8/c1-5-6-10-32-15-33-19-12-18(23(28)30-4)25(2)9-7-17-24(29)34-20(16-8-11-31-14-16)13-26(17,3)22(25)21(19)27/h8,11,14,17-20,22H,5-7,9-10,12-13,15H2,1-4H3/t17-,18-,19-,20-,22-,25-,26-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374638
PNG
(CHEMBL258285)
Show SMILES CCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-5-9-31-14-32-18-11-17(22(27)29-4)24(2)8-6-16-23(28)33-19(15-7-10-30-13-15)12-25(16,3)21(24)20(18)26/h7,10,13,16-19,21H,5-6,8-9,11-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50374634
PNG
(CHEMBL258098)
Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 1279-86 (2008)


Article DOI: 10.1016/j.bmc.2007.10.067
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 |r|
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
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n/an/an/an/a 1.80n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374640
PNG
(CHEMBL255139)
Show SMILES CCCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H36O8/c1-5-6-10-32-15-33-19-12-18(23(28)30-4)25(2)9-7-17-24(29)34-20(16-8-11-31-14-16)13-26(17,3)22(25)21(19)27/h8,11,14,17-20,22H,5-7,9-10,12-13,15H2,1-4H3/t17-,18-,19-,20-,22-,25-,26-/m0/s1
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n/an/an/an/a 20n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374630
PNG
(CHEMBL556996)
Show SMILES CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14?,16-,17-,18-,19-,21-,24-,25-/m0/s1
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n/an/an/an/a 5.70n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374643
PNG
(CHEMBL272482)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC(F)(F)F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H29F3O8/c1-22-6-4-14-21(30)35-17(13-5-7-32-10-13)9-23(14,2)19(22)18(28)16(8-15(22)20(29)31-3)34-12-33-11-24(25,26)27/h5,7,10,14-17,19H,4,6,8-9,11-12H2,1-3H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 75n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/an/an/a 1.40n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-ethoxy-2-(fu...)
Show SMILES CCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H30O7/c1-5-29-16-10-15(20(25)27-4)22(2)8-6-14-21(26)30-17(13-7-9-28-12-13)11-23(14,3)19(22)18(16)24/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 18n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374632
PNG
(CHEMBL272483)
Show SMILES COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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n/an/an/an/a 320n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374638
PNG
(CHEMBL258285)
Show SMILES CCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-5-9-31-14-32-18-11-17(22(27)29-4)24(2)8-6-16-23(28)33-19(15-7-10-30-13-15)12-25(16,3)21(24)20(18)26/h7,10,13,16-19,21H,5-6,8-9,11-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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n/an/an/an/a 5.20n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374644
PNG
(CHEMBL271285)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C26H36O8/c1-24(2,3)33-14-32-18-11-17(22(28)30-6)25(4)9-7-16-23(29)34-19(15-8-10-31-13-15)12-26(16,5)21(25)20(18)27/h8,10,13,16-19,21H,7,9,11-12,14H2,1-6H3/t16-,17-,18-,19-,21-,25-,26-/m0/s1
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n/an/an/an/a 108n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374645
PNG
(CHEMBL272939)
Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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n/an/an/an/a 0.140n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374637
PNG
(CHEMBL271077)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31FO8/c1-23-6-4-15-22(28)33-18(14-5-8-30-12-14)11-24(15,2)20(23)19(26)17(32-13-31-9-7-25)10-16(23)21(27)29-3/h5,8,12,15-18,20H,4,6-7,9-11,13H2,1-3H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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n/an/an/an/a 3.80n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374631
PNG
(CHEMBL403658)
Show SMILES COC(=O)[C@@H]1C[C@H](OCSC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H30O7S/c1-22-7-5-14-21(26)30-17(13-6-8-28-11-13)10-23(14,2)19(22)18(24)16(29-12-31-4)9-15(22)20(25)27-3/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 31n/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
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
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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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374646
PNG
(CHEMBL255969)
Show SMILES CCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H32O7/c1-5-9-30-17-11-16(21(26)28-4)23(2)8-6-15-22(27)31-18(14-7-10-29-13-14)12-24(15,3)20(23)19(17)25/h7,10,13,15-18,20H,5-6,8-9,11-12H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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n/an/an/an/a 67n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374635
PNG
(CHEMBL257922)
Show SMILES CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |w:3.3|
Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14?,16-,17-,18-,19-,21-,24-,25-/m0/s1
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n/an/an/an/a 10n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374634
PNG
(CHEMBL258098)
Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 0.400n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374636
PNG
(CHEMBL271061)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C29H34O8/c1-28-11-9-20-27(32)37-23(19-10-12-34-16-19)14-29(20,2)25(28)24(30)22(13-21(28)26(31)33-3)36-17-35-15-18-7-5-4-6-8-18/h4-8,10,12,16,20-23,25H,9,11,13-15,17H2,1-3H3/t20-,21-,22-,23-,25-,28-,29-/m0/s1
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n/an/an/an/a 274n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374629
PNG
(CHEMBL403137)
Show SMILES COC(=O)[C@@H]1C[C@H](OC2CCCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |w:8.7|
Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20?,22-,25-,26-/m0/s1
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n/an/an/an/a 2.80n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374641
PNG
(CHEMBL270844)
Show SMILES COC(=O)[C@@H]1C[C@H](OCF)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C22H27FO7/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10,13-16,18H,4,6,8-9,11H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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n/an/an/an/a 26n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374642
PNG
(CHEMBL402074)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H40O8Si/c1-26-9-7-18-25(30)35-21(17-8-10-32-15-17)14-27(18,2)23(26)22(28)20(13-19(26)24(29)31-3)34-16-33-11-12-36(4,5)6/h8,10,15,18-21,23H,7,9,11-14,16H2,1-6H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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n/an/an/an/a 1.66E+3n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374633
PNG
(CHEMBL271078)
Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-14(2)31-13-32-18-10-17(22(27)29-5)24(3)8-6-16-23(28)33-19(15-7-9-30-12-15)11-25(16,4)21(24)20(18)26/h7,9,12,14,16-19,21H,6,8,10-11,13H2,1-5H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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n/an/an/an/a 4.20n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50374639
PNG
(CHEMBL429026)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)(C)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H34O8/c1-23(2,30-6)33-17-11-16(21(27)29-5)24(3)9-7-15-22(28)32-18(14-8-10-31-13-14)12-25(15,4)20(24)19(17)26/h8,10,13,15-18,20H,7,9,11-12H2,1-6H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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n/an/an/an/a 72n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%