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Compile Data Set for Download or QSAR

Found 854 hits with Last Name = 'westaway' and Initial = 'sm'   
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))
BDBM50417599
PNG
(CHEMBL1642758)
Show SMILES Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C27H29N3O/c1-18-13-19(17-29-24-15-20-5-2-3-6-21(20)16-24)8-10-25(18)30-12-4-7-22-14-23(27(28)31)9-11-26(22)30/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
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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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417589
PNG
(CHEMBL1642747)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417594
PNG
(CHEMBL1642753)
Show SMILES Cc1cc(ccc1CNC1Cc2ccccc2C1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C27H29N3O/c1-18-13-25(30-12-4-7-21-14-22(27(28)31)9-11-26(21)30)10-8-23(18)17-29-24-15-19-5-2-3-6-20(19)16-24/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417595
PNG
(CHEMBL1642754)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(F)c1
Show InChI InChI=1S/C26H26FN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417588
PNG
(CHEMBL1642746)
Show SMILES CC1(C)CCC(CC1)NCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C25H33N3O/c1-25(2)13-11-21(12-14-25)27-17-18-5-8-22(9-6-18)28-15-3-4-19-16-20(24(26)29)7-10-23(19)28/h5-10,16,21,27H,3-4,11-15,17H2,1-2H3,(H2,26,29)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
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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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417590
PNG
(CHEMBL1642748)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccc(F)cc3C2)cc1
Show InChI InChI=1S/C26H26FN3O/c27-22-7-5-18-14-23(15-21(18)13-22)29-16-17-3-8-24(9-4-17)30-11-1-2-19-12-20(26(28)31)6-10-25(19)30/h3-10,12-13,23,29H,1-2,11,14-16H2,(H2,28,31)
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417599
PNG
(CHEMBL1642758)
Show SMILES Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C27H29N3O/c1-18-13-19(17-29-24-15-20-5-2-3-6-21(20)16-24)8-10-25(18)30-12-4-7-22-14-23(27(28)31)9-11-26(22)30/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417600
PNG
(CHEMBL1642759)
Show SMILES Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C26H33N3O/c1-19-16-21(18-28-14-13-20-6-3-2-4-7-20)9-11-24(19)29-15-5-8-22-17-23(26(27)30)10-12-25(22)29/h6,9-12,16-17,28H,2-5,7-8,13-15,18H2,1H3,(H2,27,30)
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417598
PNG
(CHEMBL1642757)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1
Show InChI InChI=1S/C26H26ClN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417599
PNG
(CHEMBL1642758)
Show SMILES Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C27H29N3O/c1-18-13-19(17-29-24-15-20-5-2-3-6-21(20)16-24)8-10-25(18)30-12-4-7-22-14-23(27(28)31)9-11-26(22)30/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417596
PNG
(CHEMBL1642755)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1
Show InChI InChI=1S/C26H25F2N3O/c27-23-13-21(31-9-3-6-18-10-19(26(29)32)7-8-25(18)31)14-24(28)22(23)15-30-20-11-16-4-1-2-5-17(16)12-20/h1-2,4-5,7-8,10,13-14,20,30H,3,6,9,11-12,15H2,(H2,29,32)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417584
PNG
(CHEMBL1642742)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O/c26-25(29)22-10-13-24-21(17-22)7-4-16-28(24)23-11-8-20(9-12-23)18-27-15-14-19-5-2-1-3-6-19/h5,8-13,17,27H,1-4,6-7,14-16,18H2,(H2,26,29)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417589
PNG
(CHEMBL1642747)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
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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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417585
PNG
(CHEMBL1642743)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCc2cccs2)cc1
Show InChI InChI=1S/C23H25N3OS/c24-23(27)19-7-10-22-18(15-19)3-1-13-26(22)20-8-5-17(6-9-20)16-25-12-11-21-4-2-14-28-21/h2,4-10,14-15,25H,1,3,11-13,16H2,(H2,24,27)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417587
PNG
(CHEMBL1642745)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCc2cccc(F)c2)cc1
Show InChI InChI=1S/C25H26FN3O/c26-22-5-1-3-18(15-22)12-13-28-17-19-6-9-23(10-7-19)29-14-2-4-20-16-21(25(27)30)8-11-24(20)29/h1,3,5-11,15-16,28H,2,4,12-14,17H2,(H2,27,30)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417589
PNG
(CHEMBL1642747)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417581
PNG
(CHEMBL1642739)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C24H31N3O/c25-24(28)21-10-13-23-20(15-21)7-4-14-27(23)22-11-8-19(9-12-22)17-26-16-18-5-2-1-3-6-18/h8-13,15,18,26H,1-7,14,16-17H2,(H2,25,28)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417588
PNG
(CHEMBL1642746)
Show SMILES CC1(C)CCC(CC1)NCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C25H33N3O/c1-25(2)13-11-21(12-14-25)27-17-18-5-8-22(9-6-18)28-15-3-4-19-16-20(24(26)29)7-10-23(19)28/h5-10,16,21,27H,3-4,11-15,17H2,1-2H3,(H2,26,29)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417583
PNG
(CHEMBL1642741)
Show SMILES CC(C)(C)CCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C23H31N3O/c1-23(2,3)12-13-25-16-17-6-9-20(10-7-17)26-14-4-5-18-15-19(22(24)27)8-11-21(18)26/h6-11,15,25H,4-5,12-14,16H2,1-3H3,(H2,24,27)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417597
PNG
(CHEMBL1642756)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O/c28-27(29,30)24-15-23(33-11-3-6-19-12-20(26(31)34)8-10-25(19)33)9-7-21(24)16-32-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,32H,3,6,11,13-14,16H2,(H2,31,34)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417593
PNG
(CHEMBL1642751)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1cccc(CNCCC2=CCCCC2)c1
Show InChI InChI=1S/C25H31N3O/c26-25(29)22-11-12-24-21(17-22)9-5-15-28(24)23-10-4-8-20(16-23)18-27-14-13-19-6-2-1-3-7-19/h4,6,8,10-12,16-17,27H,1-3,5,7,9,13-15,18H2,(H2,26,29)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417582
PNG
(CHEMBL1642740)
Show SMILES CCCCCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C22H29N3O/c1-2-3-4-13-24-16-17-7-10-20(11-8-17)25-14-5-6-18-15-19(22(23)26)9-12-21(18)25/h7-12,15,24H,2-6,13-14,16H2,1H3,(H2,23,26)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417597
PNG
(CHEMBL1642756)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O/c28-27(29,30)24-15-23(33-11-3-6-19-12-20(26(31)34)8-10-25(19)33)9-7-21(24)16-32-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,32H,3,6,11,13-14,16H2,(H2,31,34)
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417588
PNG
(CHEMBL1642746)
Show SMILES CC1(C)CCC(CC1)NCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C25H33N3O/c1-25(2)13-11-21(12-14-25)27-17-18-5-8-22(9-6-18)28-15-3-4-19-16-20(24(26)29)7-10-23(19)28/h5-10,16,21,27H,3-4,11-15,17H2,1-2H3,(H2,26,29)
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417590
PNG
(CHEMBL1642748)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccc(F)cc3C2)cc1
Show InChI InChI=1S/C26H26FN3O/c27-22-7-5-18-14-23(15-21(18)13-22)29-16-17-3-8-24(9-4-17)30-11-1-2-19-12-20(26(28)31)6-10-25(19)30/h3-10,12-13,23,29H,1-2,11,14-16H2,(H2,28,31)
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417579
PNG
(CHEMBL1642737)
Show SMILES CC(C)CCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C22H29N3O/c1-16(2)11-12-24-15-17-5-8-20(9-6-17)25-13-3-4-18-14-19(22(23)26)7-10-21(18)25/h5-10,14,16,24H,3-4,11-13,15H2,1-2H3,(H2,23,26)
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417600
PNG
(CHEMBL1642759)
Show SMILES Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C26H33N3O/c1-19-16-21(18-28-14-13-20-6-3-2-4-7-20)9-11-24(19)29-15-5-8-22-17-23(26(27)30)10-12-25(22)29/h6,9-12,16-17,28H,2-5,7-8,13-15,18H2,1H3,(H2,27,30)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417601
PNG
(CHEMBL1642760)
Show SMILES Cc1cc(ccc1CNCCC1=CCCCC1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C26H33N3O/c1-19-16-24(11-9-23(19)18-28-14-13-20-6-3-2-4-7-20)29-15-5-8-21-17-22(26(27)30)10-12-25(21)29/h6,9-12,16-17,28H,2-5,7-8,13-15,18H2,1H3,(H2,27,30)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417595
PNG
(CHEMBL1642754)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(F)c1
Show InChI InChI=1S/C26H26FN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417586
PNG
(CHEMBL1642744)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H24FN3O/c25-21-5-1-3-18(13-21)16-27-15-17-6-9-22(10-7-17)28-12-2-4-19-14-20(24(26)29)8-11-23(19)28/h1,3,5-11,13-14,27H,2,4,12,15-16H2,(H2,26,29)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417598
PNG
(CHEMBL1642757)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1
Show InChI InChI=1S/C26H26ClN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417591
PNG
(CHEMBL1642749)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2CCOCC2)cc1
Show InChI InChI=1S/C24H31N3O2/c25-24(28)21-5-8-23-20(16-21)2-1-13-27(23)22-6-3-19(4-7-22)17-26-12-9-18-10-14-29-15-11-18/h3-8,16,18,26H,1-2,9-15,17H2,(H2,25,28)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417590
PNG
(CHEMBL1642748)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccc(F)cc3C2)cc1
Show InChI InChI=1S/C26H26FN3O/c27-22-7-5-18-14-23(15-21(18)13-22)29-16-17-3-8-24(9-4-17)30-11-1-2-19-12-20(26(28)31)6-10-25(19)30/h3-10,12-13,23,29H,1-2,11,14-16H2,(H2,28,31)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417594
PNG
(CHEMBL1642753)
Show SMILES Cc1cc(ccc1CNC1Cc2ccccc2C1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C27H29N3O/c1-18-13-25(30-12-4-7-21-14-22(27(28)31)9-11-26(21)30)10-8-23(18)17-29-24-15-19-5-2-3-6-20(19)16-24/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417584
PNG
(CHEMBL1642742)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O/c26-25(29)22-10-13-24-21(17-22)7-4-16-28(24)23-11-8-20(9-12-23)18-27-15-14-19-5-2-1-3-6-19/h5,8-13,17,27H,1-4,6-7,14-16,18H2,(H2,26,29)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417594
PNG
(CHEMBL1642753)
Show SMILES Cc1cc(ccc1CNC1Cc2ccccc2C1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C27H29N3O/c1-18-13-25(30-12-4-7-21-14-22(27(28)31)9-11-26(21)30)10-8-23(18)17-29-24-15-19-5-2-3-6-20(19)16-24/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417600
PNG
(CHEMBL1642759)
Show SMILES Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C26H33N3O/c1-19-16-21(18-28-14-13-20-6-3-2-4-7-20)9-11-24(19)29-15-5-8-22-17-23(26(27)30)10-12-25(22)29/h6,9-12,16-17,28H,2-5,7-8,13-15,18H2,1H3,(H2,27,30)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417595
PNG
(CHEMBL1642754)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(F)c1
Show InChI InChI=1S/C26H26FN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417593
PNG
(CHEMBL1642751)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1cccc(CNCCC2=CCCCC2)c1
Show InChI InChI=1S/C25H31N3O/c26-25(29)22-11-12-24-21(17-22)9-5-15-28(24)23-10-4-8-20(16-23)18-27-14-13-19-6-2-1-3-7-19/h4,6,8,10-12,16-17,27H,1-3,5,7,9,13-15,18H2,(H2,26,29)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417598
PNG
(CHEMBL1642757)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1
Show InChI InChI=1S/C26H26ClN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417591
PNG
(CHEMBL1642749)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2CCOCC2)cc1
Show InChI InChI=1S/C24H31N3O2/c25-24(28)21-5-8-23-20(16-21)2-1-13-27(23)22-6-3-19(4-7-22)17-26-12-9-18-10-14-29-15-11-18/h3-8,16,18,26H,1-2,9-15,17H2,(H2,25,28)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417583
PNG
(CHEMBL1642741)
Show SMILES CC(C)(C)CCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C23H31N3O/c1-23(2,3)12-13-25-16-17-6-9-20(10-7-17)26-14-4-5-18-15-19(22(24)27)8-11-21(18)26/h6-11,15,25H,4-5,12-14,16H2,1-3H3,(H2,24,27)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417587
PNG
(CHEMBL1642745)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCc2cccc(F)c2)cc1
Show InChI InChI=1S/C25H26FN3O/c26-22-5-1-3-18(15-22)12-13-28-17-19-6-9-23(10-7-19)29-14-2-4-20-16-21(25(27)30)8-11-24(20)29/h1,3,5-11,15-16,28H,2,4,12-14,17H2,(H2,27,30)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417582
PNG
(CHEMBL1642740)
Show SMILES CCCCCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C22H29N3O/c1-2-3-4-13-24-16-17-7-10-20(11-8-17)25-14-5-6-18-15-19(22(23)26)9-12-21(18)25/h7-12,15,24H,2-6,13-14,16H2,1H3,(H2,23,26)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417579
PNG
(CHEMBL1642737)
Show SMILES CC(C)CCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C22H29N3O/c1-16(2)11-12-24-15-17-5-8-20(9-6-17)25-13-3-4-18-14-19(22(23)26)7-10-21(18)25/h5-10,14,16,24H,3-4,11-13,15H2,1-2H3,(H2,23,26)
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417583
PNG
(CHEMBL1642741)
Show SMILES CC(C)(C)CCNCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C23H31N3O/c1-23(2,3)12-13-25-16-17-6-9-20(10-7-17)26-14-4-5-18-15-19(22(24)27)8-11-21(18)26/h6-11,15,25H,4-5,12-14,16H2,1-3H3,(H2,24,27)
PDB

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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

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


(Homo sapiens (human))
BDBM50417585
PNG
(CHEMBL1642743)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCc2cccs2)cc1
Show InChI InChI=1S/C23H25N3OS/c24-23(27)19-7-10-22-18(15-19)3-1-13-26(22)20-8-5-17(6-9-20)16-25-12-11-21-4-2-14-28-21/h2,4-10,14-15,25H,1,3,11-13,16H2,(H2,24,27)
PDB

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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)

More data for this
Ligand-Target Pair
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