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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50037996   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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0.170n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226256
PNG
(6-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27)
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5.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226245
PNG
(6-(2-(4-methylpentyl)-2,3,4,5-tetrahydro-1H-benzo[...)
Show SMILES CC(C)CCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-16(2)5-3-11-25-12-4-6-17-13-20(9-7-19(17)15-25)27-21-10-8-18(14-24-21)22(23)26/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H2,23,26)
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7.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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8.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226261
PNG
(6-(2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1
Show InChI InChI=1S/C24H25N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(13-4-7-19(21)15-22)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H2,25,28)
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226244
PNG
(6-(2-isopentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...)
Show SMILES CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-15(2)9-11-24-10-3-4-16-12-19(7-5-18(16)14-24)26-20-8-6-17(13-23-20)21(22)25/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,22,25)
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226249
PNG
(6-(2-hexyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-4-5-12-25-13-6-7-17-14-20(10-8-19(17)16-25)27-21-11-9-18(15-24-21)22(23)26/h8-11,14-15H,2-7,12-13,16H2,1H3,(H2,23,26)
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226250
PNG
(6-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7...)
Show SMILES CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-2-3-4-11-24-12-5-6-16-13-19(9-7-18(16)15-24)26-20-10-8-17(14-23-20)21(22)25/h7-10,13-14H,2-6,11-12,15H2,1H3,(H2,22,25)
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226252
PNG
(6-(2-(5-methylhexyl)-2,3,4,5-tetrahydro-1H-benzo[c...)
Show SMILES CC(C)CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C23H31N3O2/c1-17(2)6-3-4-12-26-13-5-7-18-14-21(10-8-20(18)16-26)28-22-11-9-19(15-25-22)23(24)27/h8-11,14-15,17H,3-7,12-13,16H2,1-2H3,(H2,24,27)
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226251
PNG
(6-(2-phenethyl-1,2,3,4-tetrahydroisoquinolin-6-ylo...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-9-22(25-15-19)28-21-8-6-20-16-26(13-11-18(20)14-21)12-10-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,24,27)
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226264
PNG
(6-(2-(3,3-dimethylbutyl)-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CC(C)(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-22(2,3)10-12-25-11-4-5-16-13-19(8-6-18(16)15-25)27-20-9-7-17(14-24-20)21(23)26/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,23,26)
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226254
PNG
(6-(2-butyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C20H25N3O2/c1-2-3-10-23-11-4-5-15-12-18(8-6-17(15)14-23)25-19-9-7-16(13-22-19)20(21)24/h6-9,12-13H,2-5,10-11,14H2,1H3,(H2,21,24)
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21n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226266
PNG
(6-(2-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCC(F)(F)F)CCCc3c2)nc1
Show InChI InChI=1S/C20H22F3N3O2/c21-20(22,23)8-2-10-26-9-1-3-14-11-17(6-4-16(14)13-26)28-18-7-5-15(12-25-18)19(24)27/h4-7,11-12H,1-3,8-10,13H2,(H2,24,27)
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24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226262
PNG
(6-(2-(2-ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]...)
Show SMILES CCC(CC)CN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-3-16(4-2)14-25-11-5-6-17-12-20(9-7-19(17)15-25)27-21-10-8-18(13-24-21)22(23)26/h7-10,12-13,16H,3-6,11,14-15H2,1-2H3,(H2,23,26)
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42n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226255
PNG
(6-(2-(3-cyclohexylpropyl)-2,3,4,5-tetrahydro-1H-be...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCC4CCCCC4)CCCc3c2)nc1
Show InChI InChI=1S/C25H33N3O2/c26-25(29)21-11-13-24(27-17-21)30-23-12-10-22-18-28(15-5-9-20(22)16-23)14-4-8-19-6-2-1-3-7-19/h10-13,16-17,19H,1-9,14-15,18H2,(H2,26,29)
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42n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226262
PNG
(6-(2-(2-ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]...)
Show SMILES CCC(CC)CN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-3-16(4-2)14-25-11-5-6-17-12-20(9-7-19(17)15-25)27-21-10-8-18(13-24-21)22(23)26/h7-10,12-13,16H,3-6,11,14-15H2,1-2H3,(H2,23,26)
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62n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226264
PNG
(6-(2-(3,3-dimethylbutyl)-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CC(C)(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-22(2,3)10-12-25-11-4-5-16-13-19(8-6-18(16)15-25)27-20-9-7-17(14-24-20)21(23)26/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,23,26)
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72n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226244
PNG
(6-(2-isopentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...)
Show SMILES CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-15(2)9-11-24-10-3-4-16-12-19(7-5-18(16)14-24)26-20-8-6-17(13-23-20)21(22)25/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,22,25)
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78n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226263
PNG
(6-(3-phenethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepi...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C24H25N3O2/c25-24(28)21-7-9-23(26-17-21)29-22-8-6-19-11-14-27(15-12-20(19)16-22)13-10-18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H2,25,28)
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91n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226245
PNG
(6-(2-(4-methylpentyl)-2,3,4,5-tetrahydro-1H-benzo[...)
Show SMILES CC(C)CCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-16(2)5-3-11-25-12-4-6-17-13-20(9-7-19(17)15-25)27-21-10-8-18(14-24-21)22(23)26/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H2,23,26)
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106n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226250
PNG
(6-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7...)
Show SMILES CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-2-3-4-11-24-12-5-6-16-13-19(9-7-18(16)15-24)26-20-10-8-17(14-23-20)21(22)25/h7-10,13-14H,2-6,11-12,15H2,1H3,(H2,22,25)
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106n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226245
PNG
(6-(2-(4-methylpentyl)-2,3,4,5-tetrahydro-1H-benzo[...)
Show SMILES CC(C)CCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-16(2)5-3-11-25-12-4-6-17-13-20(9-7-19(17)15-25)27-21-10-8-18(14-24-21)22(23)26/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H2,23,26)
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108n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226249
PNG
(6-(2-hexyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-4-5-12-25-13-6-7-17-14-20(10-8-19(17)16-25)27-21-11-9-18(15-24-21)22(23)26/h8-11,14-15H,2-7,12-13,16H2,1H3,(H2,23,26)
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116n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226267
PNG
(6-(2-(2-morpholinoethyl)-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCN4CCOCC4)CCCc3c2)nc1
Show InChI InChI=1S/C22H28N4O3/c23-22(27)18-4-6-21(24-15-18)29-20-5-3-19-16-26(7-1-2-17(19)14-20)9-8-25-10-12-28-13-11-25/h3-6,14-15H,1-2,7-13,16H2,(H2,23,27)
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129n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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136n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226256
PNG
(6-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27)
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144n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226249
PNG
(6-(2-hexyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-4-5-12-25-13-6-7-17-14-20(10-8-19(17)16-25)27-21-11-9-18(15-24-21)22(23)26/h8-11,14-15H,2-7,12-13,16H2,1H3,(H2,23,26)
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163n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226261
PNG
(6-(2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1
Show InChI InChI=1S/C24H25N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(13-4-7-19(21)15-22)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H2,25,28)
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169n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226260
PNG
(6-(2-benzyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C22H21N3O2/c23-22(26)18-7-9-21(24-13-18)27-20-8-6-19-15-25(11-10-17(19)12-20)14-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H2,23,26)
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179n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226251
PNG
(6-(2-phenethyl-1,2,3,4-tetrahydroisoquinolin-6-ylo...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-9-22(25-15-19)28-21-8-6-20-16-26(13-11-18(20)14-21)12-10-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,24,27)
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180n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226259
PNG
(6-(2-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoli...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C24H25N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(14-12-19(21)15-22)13-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H2,25,28)
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185n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226250
PNG
(6-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7...)
Show SMILES CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-2-3-4-11-24-12-5-6-16-13-19(9-7-18(16)15-24)26-20-10-8-17(14-23-20)21(22)25/h7-10,13-14H,2-6,11-12,15H2,1H3,(H2,22,25)
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187n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226256
PNG
(6-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27)
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188n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226257
PNG
(6-(2-(3-morpholinopropyl)-2,3,4,5-tetrahydro-1H-be...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCN4CCOCC4)CCCc3c2)nc1
Show InChI InChI=1S/C23H30N4O3/c24-23(28)19-5-7-22(25-16-19)30-21-6-4-20-17-27(8-1-3-18(20)15-21)10-2-9-26-11-13-29-14-12-26/h4-7,15-16H,1-3,8-14,17H2,(H2,24,28)
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216n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226253
PNG
(6-(2-benzyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)Cc3c2)nc1
Show InChI InChI=1S/C22H21N3O2/c23-22(26)18-7-9-21(24-13-18)27-20-8-6-17-10-11-25(15-19(17)12-20)14-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H2,23,26)
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232n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226244
PNG
(6-(2-isopentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...)
Show SMILES CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-15(2)9-11-24-10-3-4-16-12-19(7-5-18(16)14-24)26-20-8-6-17(13-23-20)21(22)25/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,22,25)
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232n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226252
PNG
(6-(2-(5-methylhexyl)-2,3,4,5-tetrahydro-1H-benzo[c...)
Show SMILES CC(C)CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C23H31N3O2/c1-17(2)6-3-4-12-26-13-5-7-18-14-21(10-8-20(18)16-26)28-22-11-9-19(15-25-22)23(24)27/h8-11,14-15,17H,3-7,12-13,16H2,1-2H3,(H2,24,27)
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240n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226252
PNG
(6-(2-(5-methylhexyl)-2,3,4,5-tetrahydro-1H-benzo[c...)
Show SMILES CC(C)CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C23H31N3O2/c1-17(2)6-3-4-12-26-13-5-7-18-14-21(10-8-20(18)16-26)28-22-11-9-19(15-25-22)23(24)27/h8-11,14-15,17H,3-7,12-13,16H2,1-2H3,(H2,24,27)
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319n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226267
PNG
(6-(2-(2-morpholinoethyl)-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCN4CCOCC4)CCCc3c2)nc1
Show InChI InChI=1S/C22H28N4O3/c23-22(27)18-4-6-21(24-15-18)29-20-5-3-19-16-26(7-1-2-17(19)14-20)9-8-25-10-12-28-13-11-25/h3-6,14-15H,1-2,7-13,16H2,(H2,23,27)
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360n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226261
PNG
(6-(2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1
Show InChI InChI=1S/C24H25N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(13-4-7-19(21)15-22)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H2,25,28)
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361n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226266
PNG
(6-(2-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1H-...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCC(F)(F)F)CCCc3c2)nc1
Show InChI InChI=1S/C20H22F3N3O2/c21-20(22,23)8-2-10-26-9-1-3-14-11-17(6-4-16(14)13-26)28-18-7-5-15(12-25-18)19(24)27/h4-7,11-12H,1-3,8-10,13H2,(H2,24,27)
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388n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
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