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PubMed code 18674902

Compile data set for download or QSAR
Found 48 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))
BDBM50272298
PNG
((-)-N-cyclobutylmethylmorphinan-3-yl-14-ol phenoxy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)COc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H35NO4/c31-27(20-33-23-9-2-1-3-10-23)34-24-12-11-22-17-26-29(32)14-5-4-13-28(29,25(22)18-24)15-16-30(26)19-21-7-6-8-21/h1-3,9-12,18,21,26,32H,4-8,13-17,19-20H2/t26-,28+,29-/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272298
PNG
((-)-N-cyclobutylmethylmorphinan-3-yl-14-ol phenoxy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)COc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H35NO4/c31-27(20-33-23-9-2-1-3-10-23)34-24-12-11-22-17-26-29(32)14-5-4-13-28(29,25(22)18-24)15-16-30(26)19-21-7-6-8-21/h1-3,9-12,18,21,26,32H,4-8,13-17,19-20H2/t26-,28+,29-/m1/s1
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0.0610n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240437
PNG
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20|
Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272328
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES COc1ccc(CC(=O)Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
Show InChI InChI=1S/C30H37NO4/c1-34-24-10-7-21(8-11-24)17-28(32)35-25-12-9-23-18-27-30(33)14-3-2-13-29(30,26(23)19-25)15-16-31(27)20-22-5-4-6-22/h7-12,19,22,27,33H,2-6,13-18,20H2,1H3/t27-,29+,30-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50240437
PNG
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20|
Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272328
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES COc1ccc(CC(=O)Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
Show InChI InChI=1S/C30H37NO4/c1-34-24-10-7-21(8-11-24)17-28(32)35-25-12-9-23-18-27-30(33)14-3-2-13-29(30,26(23)19-25)15-16-31(27)20-22-5-4-6-22/h7-12,19,22,27,33H,2-6,13-18,20H2,1H3/t27-,29+,30-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272296
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H35NO3/c31-27(17-21-7-2-1-3-8-21)33-24-12-11-23-18-26-29(32)14-5-4-13-28(29,25(23)19-24)15-16-30(26)20-22-9-6-10-22/h1-3,7-8,11-12,19,22,26,32H,4-6,9-10,13-18,20H2/t26-,28+,29-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272296
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H35NO3/c31-27(17-21-7-2-1-3-8-21)33-24-12-11-23-18-26-29(32)14-5-4-13-28(29,25(23)19-24)15-16-30(26)20-22-9-6-10-22/h1-3,7-8,11-12,19,22,26,32H,4-6,9-10,13-18,20H2/t26-,28+,29-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272257
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.38.16:1|
Show InChI InChI=1S/C35H39NO3/c37-33(21-25-11-13-28(14-12-25)27-9-2-1-3-10-27)39-30-16-15-29-22-32-35(38)18-5-4-17-34(35,31(29)23-30)19-20-36(32)24-26-7-6-8-26/h1-3,9-16,23,26,32,38H,4-8,17-22,24H2/t32-,34+,35-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272297
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES CC(C(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C31H39NO3/c1-21-8-10-24(11-9-21)22(2)29(33)35-26-13-12-25-18-28-31(34)15-4-3-14-30(31,27(25)19-26)16-17-32(28)20-23-6-5-7-23/h8-13,19,22-23,28,34H,3-7,14-18,20H2,1-2H3/t22?,28-,30+,31-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272297
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES CC(C(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C31H39NO3/c1-21-8-10-24(11-9-21)22(2)29(33)35-26-13-12-25-18-28-31(34)15-4-3-14-30(31,27(25)19-26)16-17-32(28)20-23-6-5-7-23/h8-13,19,22-23,28,34H,3-7,14-18,20H2,1-2H3/t22?,28-,30+,31-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272257
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.38.16:1|
Show InChI InChI=1S/C35H39NO3/c37-33(21-25-11-13-28(14-12-25)27-9-2-1-3-10-27)39-30-16-15-29-22-32-35(38)18-5-4-17-34(35,31(29)23-30)19-20-36(32)24-26-7-6-8-26/h1-3,9-16,23,26,32,38H,4-8,17-22,24H2/t32-,34+,35-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272377
PNG
((1S,9R,10S)-4-(4-aminophenoxy)-17-(cyclobutylmethy...)
Show SMILES Nc1ccc(Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O2/c28-21-7-10-22(11-8-21)31-23-9-6-20-16-25-27(30)13-2-1-12-26(27,24(20)17-23)14-15-29(25)18-19-4-3-5-19/h6-11,17,19,25,30H,1-5,12-16,18,28H2/t25-,26+,27-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272377
PNG
((1S,9R,10S)-4-(4-aminophenoxy)-17-(cyclobutylmethy...)
Show SMILES Nc1ccc(Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O2/c28-21-7-10-22(11-8-21)31-23-9-6-20-16-25-27(30)13-2-1-12-26(27,24(20)17-23)14-15-29(25)18-19-4-3-5-19/h6-11,17,19,25,30H,1-5,12-16,18,28H2/t25-,26+,27-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272256
PNG
((2R,6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |r,TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32+,34-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272330
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(3-hydroxyprop...)
Show SMILES OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
Show InChI InChI=1S/C24H35NO3/c26-13-4-14-28-20-8-7-19-15-22-24(27)10-2-1-9-23(24,21(19)16-20)11-12-25(22)17-18-5-3-6-18/h7-8,16,18,22,26-27H,1-6,9-15,17H2/t22-,23+,24-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272375
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(2-phenylethox...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H37NO2/c31-29-15-5-4-14-28(29)16-17-30(21-23-9-6-10-23)27(29)19-24-11-12-25(20-26(24)28)32-18-13-22-7-2-1-3-8-22/h1-3,7-8,11-12,20,23,27,31H,4-6,9-10,13-19,21H2/t27-,28+,29-/m1/s1
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9n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272375
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(2-phenylethox...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H37NO2/c31-29-15-5-4-14-28(29)16-17-30(21-23-9-6-10-23)27(29)19-24-11-12-25(20-26(24)28)32-18-13-22-7-2-1-3-8-22/h1-3,7-8,11-12,20,23,27,31H,4-6,9-10,13-19,21H2/t27-,28+,29-/m1/s1
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10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272256
PNG
((2R,6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |r,TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32+,34-/m0/s1
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11n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272256
PNG
((2R,6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |r,TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32+,34-/m0/s1
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12n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50240437
PNG
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20|
Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
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12n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272299
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.37.16:1|
Show InChI InChI=1S/C34H37NO3/c36-32(27-13-11-26(12-14-27)25-9-2-1-3-10-25)38-29-16-15-28-21-31-34(37)18-5-4-17-33(34,30(28)22-29)19-20-35(31)23-24-7-6-8-24/h1-3,9-16,22,24,31,37H,4-8,17-21,23H2/t31-,33+,34-/m1/s1
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15n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272376
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(4-nitrophenox...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(Oc3ccc(cc3)[N+]([O-])=O)cc12 |r|
Show InChI InChI=1S/C27H32N2O4/c30-27-13-2-1-12-26(27)14-15-28(18-19-4-3-5-19)25(27)16-20-6-9-23(17-24(20)26)33-22-10-7-21(8-11-22)29(31)32/h6-11,17,19,25,30H,1-5,12-16,18H2/t25-,26+,27-/m1/s1
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16n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272330
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(3-hydroxyprop...)
Show SMILES OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
Show InChI InChI=1S/C24H35NO3/c26-13-4-14-28-20-8-7-19-15-22-24(27)10-2-1-9-23(24,21(19)16-20)11-12-25(22)17-18-5-3-6-18/h7-8,16,18,22,26-27H,1-6,9-15,17H2/t22-,23+,24-/m1/s1
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18n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272299
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.37.16:1|
Show InChI InChI=1S/C34H37NO3/c36-32(27-13-11-26(12-14-27)25-9-2-1-3-10-25)38-29-16-15-28-21-31-34(37)18-5-4-17-33(34,30(28)22-29)19-20-35(31)23-24-7-6-8-24/h1-3,9-16,22,24,31,37H,4-8,17-21,23H2/t31-,33+,34-/m1/s1
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18n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272331
PNG
((1S,9R,10S)-4-(benzyloxy)-17-(cyclobutylmethyl)-17...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H35NO2/c30-28-14-5-4-13-27(28)15-16-29(19-21-9-6-10-21)26(28)17-23-11-12-24(18-25(23)27)31-20-22-7-2-1-3-8-22/h1-3,7-8,11-12,18,21,26,30H,4-6,9-10,13-17,19-20H2/t26-,27+,28-/m1/s1
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21n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272298
PNG
((-)-N-cyclobutylmethylmorphinan-3-yl-14-ol phenoxy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)COc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H35NO4/c31-27(20-33-23-9-2-1-3-10-23)34-24-12-11-22-17-26-29(32)14-5-4-13-28(29,25(22)18-24)15-16-30(26)19-21-7-6-8-21/h1-3,9-12,18,21,26,32H,4-8,13-17,19-20H2/t26-,28+,29-/m1/s1
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22n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272328
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES COc1ccc(CC(=O)Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
Show InChI InChI=1S/C30H37NO4/c1-34-24-10-7-21(8-11-24)17-28(32)35-25-12-9-23-18-27-30(33)14-3-2-13-29(30,26(23)19-25)15-16-31(27)20-22-5-4-6-22/h7-12,19,22,27,33H,2-6,13-18,20H2,1H3/t27-,29+,30-/m1/s1
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23n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272331
PNG
((1S,9R,10S)-4-(benzyloxy)-17-(cyclobutylmethyl)-17...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H35NO2/c30-28-14-5-4-13-27(28)15-16-29(19-21-9-6-10-21)26(28)17-23-11-12-24(18-25(23)27)31-20-22-7-2-1-3-8-22/h1-3,7-8,11-12,18,21,26,30H,4-6,9-10,13-17,19-20H2/t26-,27+,28-/m1/s1
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28n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272376
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(4-nitrophenox...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(Oc3ccc(cc3)[N+]([O-])=O)cc12 |r|
Show InChI InChI=1S/C27H32N2O4/c30-27-13-2-1-12-26(27)14-15-28(18-19-4-3-5-19)25(27)16-20-6-9-23(17-24(20)26)33-22-10-7-21(8-11-22)29(31)32/h6-11,17,19,25,30H,1-5,12-16,18H2/t25-,26+,27-/m1/s1
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28n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272329
PNG
(2-{[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-1...)
Show SMILES NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
Show InChI InChI=1S/C23H32N2O3/c24-21(26)15-28-18-7-6-17-12-20-23(27)9-2-1-8-22(23,19(17)13-18)10-11-25(20)14-16-4-3-5-16/h6-7,13,16,20,27H,1-5,8-12,14-15H2,(H2,24,26)/t20-,22+,23-/m1/s1
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55n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272296
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H35NO3/c31-27(17-21-7-2-1-3-8-21)33-24-12-11-23-18-26-29(32)14-5-4-13-28(29,25(23)19-24)15-16-30(26)20-22-9-6-10-22/h1-3,7-8,11-12,19,22,26,32H,4-6,9-10,13-18,20H2/t26-,28+,29-/m1/s1
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63n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50272329
PNG
(2-{[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-1...)
Show SMILES NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
Show InChI InChI=1S/C23H32N2O3/c24-21(26)15-28-18-7-6-17-12-20-23(27)9-2-1-8-22(23,19(17)13-18)10-11-25(20)14-16-4-3-5-16/h6-7,13,16,20,27H,1-5,8-12,14-15H2,(H2,24,26)/t20-,22+,23-/m1/s1
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67n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272297
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES CC(C(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C31H39NO3/c1-21-8-10-24(11-9-21)22(2)29(33)35-26-13-12-25-18-28-31(34)15-4-3-14-30(31,27(25)19-26)16-17-32(28)20-23-6-5-7-23/h8-13,19,22-23,28,34H,3-7,14-18,20H2,1-2H3/t22?,28-,30+,31-/m1/s1
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96n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272257
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.38.16:1|
Show InChI InChI=1S/C35H39NO3/c37-33(21-25-11-13-28(14-12-25)27-9-2-1-3-10-27)39-30-16-15-29-22-32-35(38)18-5-4-17-34(35,31(29)23-30)19-20-36(32)24-26-7-6-8-26/h1-3,9-16,23,26,32,38H,4-8,17-22,24H2/t32-,34+,35-/m1/s1
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190n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272330
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(3-hydroxyprop...)
Show SMILES OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
Show InChI InChI=1S/C24H35NO3/c26-13-4-14-28-20-8-7-19-15-22-24(27)10-2-1-9-23(24,21(19)16-20)11-12-25(22)17-18-5-3-6-18/h7-8,16,18,22,26-27H,1-6,9-15,17H2/t22-,23+,24-/m1/s1
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490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272375
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(2-phenylethox...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H37NO2/c31-29-15-5-4-14-28(29)16-17-30(21-23-9-6-10-23)27(29)19-24-11-12-25(20-26(24)28)32-18-13-22-7-2-1-3-8-22/h1-3,7-8,11-12,20,23,27,31H,4-6,9-10,13-19,21H2/t27-,28+,29-/m1/s1
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500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272331
PNG
((1S,9R,10S)-4-(benzyloxy)-17-(cyclobutylmethyl)-17...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H35NO2/c30-28-14-5-4-13-27(28)15-16-29(19-21-9-6-10-21)26(28)17-23-11-12-24(18-25(23)27)31-20-22-7-2-1-3-8-22/h1-3,7-8,11-12,18,21,26,30H,4-6,9-10,13-17,19-20H2/t26-,27+,28-/m1/s1
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670n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272299
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.37.16:1|
Show InChI InChI=1S/C34H37NO3/c36-32(27-13-11-26(12-14-27)25-9-2-1-3-10-25)38-29-16-15-28-21-31-34(37)18-5-4-17-33(34,30(28)22-29)19-20-35(31)23-24-7-6-8-24/h1-3,9-16,22,24,31,37H,4-8,17-21,23H2/t31-,33+,34-/m1/s1
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690n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272329
PNG
(2-{[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-1...)
Show SMILES NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
Show InChI InChI=1S/C23H32N2O3/c24-21(26)15-28-18-7-6-17-12-20-23(27)9-2-1-8-22(23,19(17)13-18)10-11-25(20)14-16-4-3-5-16/h6-7,13,16,20,27H,1-5,8-12,14-15H2,(H2,24,26)/t20-,22+,23-/m1/s1
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760n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272377
PNG
((1S,9R,10S)-4-(4-aminophenoxy)-17-(cyclobutylmethy...)
Show SMILES Nc1ccc(Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O2/c28-21-7-10-22(11-8-21)31-23-9-6-20-16-25-27(30)13-2-1-12-26(27,24(20)17-23)14-15-29(25)18-19-4-3-5-19/h6-11,17,19,25,30H,1-5,12-16,18,28H2/t25-,26+,27-/m1/s1
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930n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272376
PNG
((1S,9R,10S)-17-(cyclobutylmethyl)-4-(4-nitrophenox...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(Oc3ccc(cc3)[N+]([O-])=O)cc12 |r|
Show InChI InChI=1S/C27H32N2O4/c30-27-13-2-1-12-26(27)14-15-28(18-19-4-3-5-19)25(27)16-20-6-9-23(17-24(20)26)33-22-10-7-21(8-11-22)29(31)32/h6-11,17,19,25,30H,1-5,12-16,18H2/t25-,26+,27-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%