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PubMed code 12672258

Compile data set for download or QSAR
Found 99 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))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
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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0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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0.730n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027097
PNG
(CHEMBL2113382)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027097
PNG
(CHEMBL2113382)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027100
PNG
(CHEMBL2113378)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H33N3O2/c1-35-17-15-31-27-21-13-14-25(36)29(27)37-30(31)28-23(22-11-5-6-12-24(22)34-28)19-32(31,26(35)18-21)33-16-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33-34,36H,7,10,15-19H2,1H3/t26?,30-,31-,32+/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027101
PNG
(CHEMBL2113376)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(N)Cc1c2[nH]c2ccccc12)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C23H23N3O2/c1-26-9-8-22-18-12-6-7-16(27)20(18)28-21(22)19-14(11-23(22,24)17(26)10-12)13-4-2-3-5-15(13)25-19/h2-7,17,21,25,27H,8-11,24H2,1H3/t17?,21-,22-,23+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027105
PNG
(CHEMBL2113373)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H31N3O3/c1-35-16-15-31-27-20-12-13-24(36)29(27)38-30(31)28-22(21-9-5-6-10-23(21)33-28)18-32(31,25(35)17-20)34-26(37)14-11-19-7-3-2-4-8-19/h2-10,12-13,25,30,33,36H,11,14-18H2,1H3,(H,34,37)/t25?,30-,31-,32+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027099
PNG
(CHEMBL2113380)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(CCCc1ccccc1)Cc1c2[nH]c2ccccc12)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H32N2O2/c1-34-17-16-32-27-21-13-14-25(35)29(27)36-30(32)28-23(22-11-5-6-12-24(22)33-28)19-31(32,26(34)18-21)15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33,35H,7,10,15-19H2,1H3/t26?,30-,31-,32-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
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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5.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027098
PNG
(CHEMBL2113379)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H29N3O3/c1-34-14-13-30-26-19-11-12-23(35)28(26)37-29(30)27-21(20-9-5-6-10-22(20)32-27)17-31(30,24(34)16-19)33-25(36)15-18-7-3-2-4-8-18/h2-12,24,29,32,35H,13-17H2,1H3,(H,33,36)/t24?,29-,30-,31+/m0/s1
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6.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027100
PNG
(CHEMBL2113378)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H33N3O2/c1-35-17-15-31-27-21-13-14-25(36)29(27)37-30(31)28-23(22-11-5-6-12-24(22)34-28)19-32(31,26(35)18-21)33-16-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33-34,36H,7,10,15-19H2,1H3/t26?,30-,31-,32+/m0/s1
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7.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027105
PNG
(CHEMBL2113373)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H31N3O3/c1-35-16-15-31-27-20-12-13-24(36)29(27)38-30(31)28-22(21-9-5-6-10-23(21)33-28)18-32(31,25(35)17-20)34-26(37)14-11-19-7-3-2-4-8-19/h2-10,12-13,25,30,33,36H,11,14-18H2,1H3,(H,34,37)/t25?,30-,31-,32+/m0/s1
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9.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027104
PNG
(CHEMBL2113372)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C30H35N3O3/c1-3-4-5-6-11-24(35)32-30-17-20-19-9-7-8-10-21(19)31-26(20)28-29(30)14-15-33(2)23(30)16-18-12-13-22(34)27(36-28)25(18)29/h7-10,12-13,23,28,31,34H,3-6,11,14-17H2,1-2H3,(H,32,35)/t23?,28-,29-,30+/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027100
PNG
(CHEMBL2113378)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H33N3O2/c1-35-17-15-31-27-21-13-14-25(36)29(27)37-30(31)28-23(22-11-5-6-12-24(22)34-28)19-32(31,26(35)18-21)33-16-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33-34,36H,7,10,15-19H2,1H3/t26?,30-,31-,32+/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027097
PNG
(CHEMBL2113382)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
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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21n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027099
PNG
(CHEMBL2113380)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(CCCc1ccccc1)Cc1c2[nH]c2ccccc12)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H32N2O2/c1-34-17-16-32-27-21-13-14-25(35)29(27)36-30(32)28-23(22-11-5-6-12-24(22)33-28)19-31(32,26(34)18-21)15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33,35H,7,10,15-19H2,1H3/t26?,30-,31-,32-/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027105
PNG
(CHEMBL2113373)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H31N3O3/c1-35-16-15-31-27-20-12-13-24(36)29(27)38-30(31)28-22(21-9-5-6-10-23(21)33-28)18-32(31,25(35)17-20)34-26(37)14-11-19-7-3-2-4-8-19/h2-10,12-13,25,30,33,36H,11,14-18H2,1H3,(H,34,37)/t25?,30-,31-,32+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027098
PNG
(CHEMBL2113379)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H29N3O3/c1-34-14-13-30-26-19-11-12-23(35)28(26)37-29(30)27-21(20-9-5-6-10-22(20)32-27)17-31(30,24(34)16-19)33-25(36)15-18-7-3-2-4-8-18/h2-12,24,29,32,35H,13-17H2,1H3,(H,33,36)/t24?,29-,30-,31+/m0/s1
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29n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027104
PNG
(CHEMBL2113372)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C30H35N3O3/c1-3-4-5-6-11-24(35)32-30-17-20-19-9-7-8-10-21(19)31-26(20)28-29(30)14-15-33(2)23(30)16-18-12-13-22(34)27(36-28)25(18)29/h7-10,12-13,23,28,31,34H,3-6,11,14-17H2,1-2H3,(H,32,35)/t23?,28-,29-,30+/m0/s1
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33n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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36n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
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51n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027099
PNG
(CHEMBL2113380)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(CCCc1ccccc1)Cc1c2[nH]c2ccccc12)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H32N2O2/c1-34-17-16-32-27-21-13-14-25(35)29(27)36-30(32)28-23(22-11-5-6-12-24(22)33-28)19-31(32,26(34)18-21)15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33,35H,7,10,15-19H2,1H3/t26?,30-,31-,32-/m0/s1
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63n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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64n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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76n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027098
PNG
(CHEMBL2113379)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H29N3O3/c1-34-14-13-30-26-19-11-12-23(35)28(26)37-29(30)27-21(20-9-5-6-10-22(20)32-27)17-31(30,24(34)16-19)33-25(36)15-18-7-3-2-4-8-18/h2-12,24,29,32,35H,13-17H2,1H3,(H,33,36)/t24?,29-,30-,31+/m0/s1
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148n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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305n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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363n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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396n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027101
PNG
(CHEMBL2113376)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(N)Cc1c2[nH]c2ccccc12)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C23H23N3O2/c1-26-9-8-22-18-12-6-7-16(27)20(18)28-21(22)19-14(11-23(22,24)17(26)10-12)13-4-2-3-5-15(13)25-19/h2-7,17,21,25,27H,8-11,24H2,1H3/t17?,21-,22-,23+/m0/s1
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399n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027104
PNG
(CHEMBL2113372)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C30H35N3O3/c1-3-4-5-6-11-24(35)32-30-17-20-19-9-7-8-10-21(19)31-26(20)28-29(30)14-15-33(2)23(30)16-18-12-13-22(34)27(36-28)25(18)29/h7-10,12-13,23,28,31,34H,3-6,11,14-17H2,1-2H3,(H,32,35)/t23?,28-,29-,30+/m0/s1
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409n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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504n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
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723n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027101
PNG
(CHEMBL2113376)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(N)Cc1c2[nH]c2ccccc12)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C23H23N3O2/c1-26-9-8-22-18-12-6-7-16(27)20(18)28-21(22)19-14(11-23(22,24)17(26)10-12)13-4-2-3-5-15(13)25-19/h2-7,17,21,25,27H,8-11,24H2,1H3/t17?,21-,22-,23+/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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1.15E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027105
PNG
(CHEMBL2113373)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H31N3O3/c1-35-16-15-31-27-20-12-13-24(36)29(27)38-30(31)28-22(21-9-5-6-10-23(21)33-28)18-32(31,25(35)17-20)34-26(37)14-11-19-7-3-2-4-8-19/h2-10,12-13,25,30,33,36H,11,14-18H2,1H3,(H,34,37)/t25?,30-,31-,32+/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027097
PNG
(CHEMBL2113382)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 14n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027099
PNG
(CHEMBL2113380)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(CCCc1ccccc1)Cc1c2[nH]c2ccccc12)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H32N2O2/c1-34-17-16-32-27-21-13-14-25(35)29(27)36-30(32)28-23(22-11-5-6-12-24(22)33-28)19-31(32,26(34)18-21)15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33,35H,7,10,15-19H2,1H3/t26?,30-,31-,32-/m0/s1
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n/an/an/an/a 97n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027097
PNG
(CHEMBL2113382)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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n/an/an/an/a 16n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027099
PNG
(CHEMBL2113380)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(CCCc1ccccc1)Cc1c2[nH]c2ccccc12)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H32N2O2/c1-34-17-16-32-27-21-13-14-25(35)29(27)36-30(32)28-23(22-11-5-6-12-24(22)33-28)19-31(32,26(34)18-21)15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33,35H,7,10,15-19H2,1H3/t26?,30-,31-,32-/m0/s1
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n/an/an/an/a 7.5n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027105
PNG
(CHEMBL2113373)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H31N3O3/c1-35-16-15-31-27-20-12-13-24(36)29(27)38-30(31)28-22(21-9-5-6-10-23(21)33-28)18-32(31,25(35)17-20)34-26(37)14-11-19-7-3-2-4-8-19/h2-10,12-13,25,30,33,36H,11,14-18H2,1H3,(H,34,37)/t25?,30-,31-,32+/m0/s1
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n/an/an/an/a 9.5n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
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n/an/an/an/a 149n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
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 4.40n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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n/an/an/an/a 272n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027101
PNG
(CHEMBL2113376)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(N)Cc1c2[nH]c2ccccc12)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C23H23N3O2/c1-26-9-8-22-18-12-6-7-16(27)20(18)28-21(22)19-14(11-23(22,24)17(26)10-12)13-4-2-3-5-15(13)25-19/h2-7,17,21,25,27H,8-11,24H2,1H3/t17?,21-,22-,23+/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027100
PNG
(CHEMBL2113378)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H33N3O2/c1-35-17-15-31-27-21-13-14-25(36)29(27)37-30(31)28-23(22-11-5-6-12-24(22)34-28)19-32(31,26(35)18-21)33-16-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33-34,36H,7,10,15-19H2,1H3/t26?,30-,31-,32+/m0/s1
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n/an/an/an/a 45n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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n/an/an/an/a 0.110n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/an/an/a 5.40n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027101
PNG
(CHEMBL2113376)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(N)Cc1c2[nH]c2ccccc12)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C23H23N3O2/c1-26-9-8-22-18-12-6-7-16(27)20(18)28-21(22)19-14(11-23(22,24)17(26)10-12)13-4-2-3-5-15(13)25-19/h2-7,17,21,25,27H,8-11,24H2,1H3/t17?,21-,22-,23+/m0/s1
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n/an/an/an/a 87n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027100
PNG
(CHEMBL2113378)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H33N3O2/c1-35-17-15-31-27-21-13-14-25(36)29(27)37-30(31)28-23(22-11-5-6-12-24(22)34-28)19-32(31,26(35)18-21)33-16-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33-34,36H,7,10,15-19H2,1H3/t26?,30-,31-,32+/m0/s1
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n/an/an/an/a 27n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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n/an/an/an/a 4.70n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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n/an/an/an/a 5n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027097
PNG
(CHEMBL2113382)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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n/an/an/an/a 0.950n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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n/an/an/an/a 0.330n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027104
PNG
(CHEMBL2113372)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C30H35N3O3/c1-3-4-5-6-11-24(35)32-30-17-20-19-9-7-8-10-21(19)31-26(20)28-29(30)14-15-33(2)23(30)16-18-12-13-22(34)27(36-28)25(18)29/h7-10,12-13,23,28,31,34H,3-6,11,14-17H2,1-2H3,(H,32,35)/t23?,28-,29-,30+/m0/s1
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n/an/an/an/a 57n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 4.37E+3n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/an/an/a 26n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027100
PNG
(CHEMBL2113378)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H33N3O2/c1-35-17-15-31-27-21-13-14-25(36)29(27)37-30(31)28-23(22-11-5-6-12-24(22)34-28)19-32(31,26(35)18-21)33-16-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33-34,36H,7,10,15-19H2,1H3/t26?,30-,31-,32+/m0/s1
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n/an/an/an/a 0.870n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027105
PNG
(CHEMBL2113373)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H31N3O3/c1-35-16-15-31-27-20-12-13-24(36)29(27)38-30(31)28-22(21-9-5-6-10-23(21)33-28)18-32(31,25(35)17-20)34-26(37)14-11-19-7-3-2-4-8-19/h2-10,12-13,25,30,33,36H,11,14-18H2,1H3,(H,34,37)/t25?,30-,31-,32+/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
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n/an/an/an/a 57n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/an/an/a 0.590n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of DAMGO binding in recombinant human Opioid receptor mu 1 transfected into CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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n/an/an/an/a 936n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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n/an/an/an/a 98n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
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 19n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of DAMGO binding in recombinant human Opioid receptor mu 1 transfected into CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027098
PNG
(CHEMBL2113379)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H29N3O3/c1-34-14-13-30-26-19-11-12-23(35)28(26)37-29(30)27-21(20-9-5-6-10-22(20)32-27)17-31(30,24(34)16-19)33-25(36)15-18-7-3-2-4-8-18/h2-12,24,29,32,35H,13-17H2,1H3,(H,33,36)/t24?,29-,30-,31+/m0/s1
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n/an/an/an/a 96n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027101
PNG
(CHEMBL2113376)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(N)Cc1c2[nH]c2ccccc12)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C23H23N3O2/c1-26-9-8-22-18-12-6-7-16(27)20(18)28-21(22)19-14(11-23(22,24)17(26)10-12)13-4-2-3-5-15(13)25-19/h2-7,17,21,25,27H,8-11,24H2,1H3/t17?,21-,22-,23+/m0/s1
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n/an/an/an/a 8.60n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027098
PNG
(CHEMBL2113379)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H29N3O3/c1-34-14-13-30-26-19-11-12-23(35)28(26)37-29(30)27-21(20-9-5-6-10-22(20)32-27)17-31(30,24(34)16-19)33-25(36)15-18-7-3-2-4-8-18/h2-12,24,29,32,35H,13-17H2,1H3,(H,33,36)/t24?,29-,30-,31+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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n/an/an/an/a 184n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
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 0.0390n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027104
PNG
(CHEMBL2113372)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C30H35N3O3/c1-3-4-5-6-11-24(35)32-30-17-20-19-9-7-8-10-21(19)31-26(20)28-29(30)14-15-33(2)23(30)16-18-12-13-22(34)27(36-28)25(18)29/h7-10,12-13,23,28,31,34H,3-6,11,14-17H2,1-2H3,(H,32,35)/t23?,28-,29-,30+/m0/s1
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n/an/an/an/a 19n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027104
PNG
(CHEMBL2113372)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C30H35N3O3/c1-3-4-5-6-11-24(35)32-30-17-20-19-9-7-8-10-21(19)31-26(20)28-29(30)14-15-33(2)23(30)16-18-12-13-22(34)27(36-28)25(18)29/h7-10,12-13,23,28,31,34H,3-6,11,14-17H2,1-2H3,(H,32,35)/t23?,28-,29-,30+/m0/s1
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n/an/an/an/a 51n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027099
PNG
(CHEMBL2113380)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(CCCc1ccccc1)Cc1c2[nH]c2ccccc12)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H32N2O2/c1-34-17-16-32-27-21-13-14-25(35)29(27)36-30(32)28-23(22-11-5-6-12-24(22)33-28)19-31(32,26(34)18-21)15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33,35H,7,10,15-19H2,1H3/t26?,30-,31-,32-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027098
PNG
(CHEMBL2113379)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H29N3O3/c1-34-14-13-30-26-19-11-12-23(35)28(26)37-29(30)27-21(20-9-5-6-10-22(20)32-27)17-31(30,24(34)16-19)33-25(36)15-18-7-3-2-4-8-18/h2-12,24,29,32,35H,13-17H2,1H3,(H,33,36)/t24?,29-,30-,31+/m0/s1
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n/an/an/an/a 95n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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n/an/an/an/a 4.30n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of DAMGO binding in recombinant human Opioid receptor mu 1 transfected into CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%