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PubMed code 20568781

Compile data set for download or QSAR
Found 32 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50318682
PNG
(6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(+)-carb...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23+,27+,29+/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50318678
PNG
(7-Hydroxyisothiochroman-3(+)-carboxylic Acid-{1-[4...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1 |r|
Show InChI InChI=1S/C28H38N2O3S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50318680
PNG
(7-HYDROXY-2-OXO-2-ISOTHIOCHROMAN-3(+)-CARBOXYLIC A...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1=O |r|
Show InChI InChI=1S/C28H38N2O4S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-35(26)34)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+,35?/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50378781
PNG
(CHEMBL1204085)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CS1 |r|
Show InChI InChI=1S/C28H38N2O3S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26-,28+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50378782
PNG
(CHEMBL1204084)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)c1ccc2cc(O)ccc2c1 |r|
Show InChI InChI=1S/C29H36N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-11,14-16,19-20,27,32-33H,12-13,17-18H2,1-4H3,(H,30,34)/t20-,27+,29+/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50318683
PNG
(6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carb...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23-,27+,29+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50318685
PNG
(7-Hydroxy-3,4-dihydro-1H-isochromene-3-carboxylic ...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CO1 |r|
Show InChI InChI=1S/C28H38N2O4/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26-,28+/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50318680
PNG
(7-HYDROXY-2-OXO-2-ISOTHIOCHROMAN-3(+)-CARBOXYLIC A...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1=O |r|
Show InChI InChI=1S/C28H38N2O4S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-35(26)34)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+,35?/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50318685
PNG
(7-Hydroxy-3,4-dihydro-1H-isochromene-3-carboxylic ...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CO1 |r|
Show InChI InChI=1S/C28H38N2O4/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26-,28+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50318682
PNG
(6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(+)-carb...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23+,27+,29+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50378782
PNG
(CHEMBL1204084)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)c1ccc2cc(O)ccc2c1 |r|
Show InChI InChI=1S/C29H36N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-11,14-16,19-20,27,32-33H,12-13,17-18H2,1-4H3,(H,30,34)/t20-,27+,29+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50318680
PNG
(7-HYDROXY-2-OXO-2-ISOTHIOCHROMAN-3(+)-CARBOXYLIC A...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1=O |r|
Show InChI InChI=1S/C28H38N2O4S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-35(26)34)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+,35?/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50378781
PNG
(CHEMBL1204085)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CS1 |r|
Show InChI InChI=1S/C28H38N2O3S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26-,28+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50318685
PNG
(7-Hydroxy-3,4-dihydro-1H-isochromene-3-carboxylic ...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CO1 |r|
Show InChI InChI=1S/C28H38N2O4/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26-,28+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50318678
PNG
(7-Hydroxyisothiochroman-3(+)-carboxylic Acid-{1-[4...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1 |r|
Show InChI InChI=1S/C28H38N2O3S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50318678
PNG
(7-Hydroxyisothiochroman-3(+)-carboxylic Acid-{1-[4...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1 |r|
Show InChI InChI=1S/C28H38N2O3S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50318680
PNG
(7-HYDROXY-2-OXO-2-ISOTHIOCHROMAN-3(+)-CARBOXYLIC A...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1=O |r|
Show InChI InChI=1S/C28H38N2O4S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-35(26)34)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+,35?/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50318684
PNG
(7-Hydroxy-3,4-dihydro-1H-isochromene-3-carboxylic ...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CO1 |r|
Show InChI InChI=1S/C28H38N2O4/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50318684
PNG
(7-Hydroxy-3,4-dihydro-1H-isochromene-3-carboxylic ...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CO1 |r|
Show InChI InChI=1S/C28H38N2O4/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50318683
PNG
(6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carb...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23-,27+,29+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50318683
PNG
(6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carb...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23-,27+,29+/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50318680
PNG
(7-HYDROXY-2-OXO-2-ISOTHIOCHROMAN-3(+)-CARBOXYLIC A...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1=O |r|
Show InChI InChI=1S/C28H38N2O4S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-35(26)34)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+,35?/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50318684
PNG
(7-Hydroxy-3,4-dihydro-1H-isochromene-3-carboxylic ...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CO1 |r|
Show InChI InChI=1S/C28H38N2O4/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26+,28+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50378781
PNG
(CHEMBL1204085)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CS1 |r|
Show InChI InChI=1S/C28H38N2O3S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26-,28+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50378782
PNG
(CHEMBL1204084)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)c1ccc2cc(O)ccc2c1 |r|
Show InChI InChI=1S/C29H36N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-11,14-16,19-20,27,32-33H,12-13,17-18H2,1-4H3,(H,30,34)/t20-,27+,29+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50318682
PNG
(6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(+)-carb...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23+,27+,29+/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%