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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'larson' and Initial = 'dl'   
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


(MOUSE)
BDBM50059997
PNG
(7 beta-Spirobenzocyclohexylnaltrexone | CHEMBL1016...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
Show InChI InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27+,28?,29+/m0/s1
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0.00190n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059994
PNG
(7 alpha-Spirobenzocyclohexylnaltrexone | CHEMBL105...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
Show InChI InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27-,28?,29+/m0/s1
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0.00410n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50058154
PNG
(7-(4'-Methoxy-2'-spiroindanyl)naltrexone | CHEMBL2...)
Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28|
Show InChI InChI=1S/C29H31NO5/c1-34-21-4-2-3-18-12-27(13-19(18)21)15-29(33)22-11-17-7-8-20(31)24-23(17)28(29,26(35-24)25(27)32)9-10-30(22)14-16-5-6-16/h2-4,7-8,16,22,26,31,33H,5-6,9-15H2,1H3/t22?,26?,27?,28?,29-/m1/s1
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0.0280n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor delta 1 using [3H]- NT1 as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
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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0.0300n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand


J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
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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0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087456
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34|
Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50058152
PNG
(7-(2''-Spiroindanyl)Naltrexone | 7-(2''-spiroindan...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1(Cc4ccccc4C1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c30-20-8-7-17-11-21-28(32)15-26(12-18-3-1-2-4-19(18)13-26)24(31)25-27(28,22(17)23(20)33-25)9-10-29(21)14-16-5-6-16/h1-4,7-8,16,21,25,30,32H,5-6,9-15H2/t21-,25+,27+,28-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor delta 1 using [3H]- NT1 as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087456
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34|
Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50059997
PNG
(7 beta-Spirobenzocyclohexylnaltrexone | CHEMBL1016...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
Show InChI InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27+,28?,29+/m0/s1
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0.380n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087460
PNG
(17-cyclopropylmethyl-17'-cyclopropylmethyl-3'-hydr...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:4:5:44:8.14.13,46:27:38:30.36.35,25:26:38:30.36.35,18:19:44:8.14.13|
Show InChI InChI=1S/C41H45N3O6/c1-48-27-9-7-23-15-29-41(47)17-25-24-16-40(46)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-2-3-20)36(49-34)32(24)42-33(25)37-39(41,31(23)35(27)50-37)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,42,45-47H,2-5,10-19H2,1H3/t28?,29?,36-,37-,38-,39-,40+,41+/m0/s1
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0.390n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50058154
PNG
(7-(4'-Methoxy-2'-spiroindanyl)naltrexone | CHEMBL2...)
Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28|
Show InChI InChI=1S/C29H31NO5/c1-34-21-4-2-3-18-12-27(13-19(18)21)15-29(33)22-11-17-7-8-20(31)24-23(17)28(29,26(35-24)25(27)32)9-10-30(22)14-16-5-6-16/h2-4,7-8,16,22,26,31,33H,5-6,9-15H2,1H3/t22?,26?,27?,28?,29-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor mu 1 using [3H]- DAMGO as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087458
PNG
(17-Cyclopropylmethyl-17'-guanidinyl-6,6',7,7'-tetr...)
Show SMILES NC(=N)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
Show InChI InChI=1S/C37H39N5O6/c38-33(39)42-10-8-35-26-18-4-6-22(44)30(26)48-32(35)28-20(14-37(35,46)24(42)12-18)19-13-36(45)23-11-17-3-5-21(43)29-25(17)34(36,31(47-29)27(19)40-28)7-9-41(23)15-16-1-2-16/h3-6,16,23-24,31-32,40,43-46H,1-2,7-15H2,(H3,38,39)/t23?,24?,31-,32-,34-,35-,36+,37+/m0/s1
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0.570n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1r in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
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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0.700n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand


J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50059994
PNG
(7 alpha-Spirobenzocyclohexylnaltrexone | CHEMBL105...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
Show InChI InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27-,28?,29+/m0/s1
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0.720n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
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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0.75n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in Guinea pig brain membranes using [3H]DAMGO


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
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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0.940n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50049563
PNG
(5-amino-2,4(Bis-4-cyclopropylmethyl-10,17-dihydrox...)
Show SMILES NC1=NC(=N[C@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)[C@]1(N)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |c:3,t:1,TLB:24:23:8:28.12.11,49:48:33:53.37.36|
Show InChI InChI=1S/C42H50N6O6/c43-35-40(10-12-42(52)28-18-24-6-8-26(50)32-30(24)38(42,34(40)54-32)14-16-48(28)20-22-3-4-22)46-36(45-35)39(44)9-11-41(51)27-17-23-5-7-25(49)31-29(23)37(41,33(39)53-31)13-15-47(27)19-21-1-2-21/h5-8,21-22,27-28,33-34,49-52H,1-4,9-20,44H2,(H2,43,45,46)/t27-,28-,33-,34-,37?,38?,39+,40+,41-,42-/m1/s1
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0.980n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in Guinea pig brain membranes


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021498
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:49:48:32:53.36.35,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C44H54N4O8/c49-29-7-5-25-19-31-43(53)13-11-27(39-41(43,35(25)37(29)55-39)15-17-47(31)21-23-1-2-23)45-33(51)9-10-34(52)46-28-12-14-44(54)32-20-26-6-8-30(50)38-36(26)42(44,40(28)56-38)16-18-48(32)22-24-3-4-24/h5-8,23-24,27-28,31-32,39-40,49-50,53-54H,1-4,9-22H2,(H,45,51)(H,46,52)/t27-,28-,31?,32?,39+,40+,41?,42?,43-,44-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50021500
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(13R,14R,1...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |r,THB:10:9:4.5.6:17|
Show InChI InChI=1S/C22H28N2O4/c1-12(25)23-15-6-7-22(27)17-10-14-4-5-16(26)19-18(14)21(22,20(15)28-19)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26-27H,2-3,6-11H2,1H3,(H,23,25)/t15-,17-,20+,21+,22-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50021495
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C52H66N8O12/c61-33-7-5-29-19-35-51(69)13-11-31(47-49(51,43(29)45(33)71-47)15-17-59(35)25-27-1-2-27)57-41(67)23-55-39(65)21-53-37(63)9-10-38(64)54-22-40(66)56-24-42(68)58-32-12-14-52(70)36-20-30-6-8-34(62)46-44(30)50(52,48(32)72-46)16-18-60(36)26-28-3-4-28/h5-8,27-28,31-32,35-36,47-48,61-62,69-70H,1-4,9-26H2,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t31-,32-,35?,36?,47+,48+,49?,50?,51-,52-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50058152
PNG
(7-(2''-Spiroindanyl)Naltrexone | 7-(2''-spiroindan...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1(Cc4ccccc4C1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c30-20-8-7-17-11-21-28(32)15-26(12-18-3-1-2-4-19(18)13-26)24(31)25-27(28,22(17)23(20)33-25)9-10-29(21)14-16-5-6-16/h1-4,7-8,16,21,25,30,32H,5-6,9-15H2/t21-,25+,27+,28-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor mu 1 using [3H]- DAMGO as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50021493
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C56H72N10O14/c67-35-7-5-31-19-37-55(77)13-11-33(51-53(55,47(31)49(35)79-51)15-17-65(37)27-29-1-2-29)63-45(75)25-61-43(73)23-59-41(71)21-57-39(69)9-10-40(70)58-22-42(72)60-24-44(74)62-26-46(76)64-34-12-14-56(78)38-20-32-6-8-36(68)50-48(32)54(56,52(34)80-50)16-18-66(38)28-30-3-4-30/h5-8,29-30,33-34,37-38,51-52,67-68,77-78H,1-4,9-28H2,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t33-,34-,37?,38?,51+,52+,53?,54?,55-,56-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50021498
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:49:48:32:53.36.35,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C44H54N4O8/c49-29-7-5-25-19-31-43(53)13-11-27(39-41(43,35(25)37(29)55-39)15-17-47(31)21-23-1-2-23)45-33(51)9-10-34(52)46-28-12-14-44(54)32-20-26-6-8-30(50)38-36(26)42(44,40(28)56-38)16-18-48(32)22-24-3-4-24/h5-8,23-24,27-28,31-32,39-40,49-50,53-54H,1-4,9-22H2,(H,45,51)(H,46,52)/t27-,28-,31?,32?,39+,40+,41?,42?,43-,44-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50016457
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(C)=O)ccc5O |TLB:21:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14?,17-,18-,19+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of Opioid receptor mu 1 by the displacement of mu-selective [3H]DAGO from brain membrane preparations.


J Med Chem 30: 1991-4 (1987)


BindingDB Entry DOI: 10.7270/Q24T6JZK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021499
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:57:56:40:61.44.43,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C48H60N6O10/c55-31-7-5-27-19-33-47(61)13-11-29(43-45(47,39(27)41(31)63-43)15-17-53(33)23-25-1-2-25)51-37(59)21-49-35(57)9-10-36(58)50-22-38(60)52-30-12-14-48(62)34-20-28-6-8-32(56)42-40(28)46(48,44(30)64-42)16-18-54(34)24-26-3-4-26/h5-8,25-26,29-30,33-34,43-44,55-56,61-62H,1-4,9-24H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t29-,30-,33?,34?,43+,44+,45?,46?,47-,48-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021495
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C52H66N8O12/c61-33-7-5-29-19-35-51(69)13-11-31(47-49(51,43(29)45(33)71-47)15-17-59(35)25-27-1-2-27)57-41(67)23-55-39(65)21-53-37(63)9-10-38(64)54-22-40(66)56-24-42(68)58-32-12-14-52(70)36-20-30-6-8-34(62)46-44(30)50(52,48(32)72-46)16-18-60(36)26-28-3-4-28/h5-8,27-28,31-32,35-36,47-48,61-62,69-70H,1-4,9-26H2,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t31-,32-,35?,36?,47+,48+,49?,50?,51-,52-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50021499
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:57:56:40:61.44.43,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C48H60N6O10/c55-31-7-5-27-19-33-47(61)13-11-29(43-45(47,39(27)41(31)63-43)15-17-53(33)23-25-1-2-25)51-37(59)21-49-35(57)9-10-36(58)50-22-38(60)52-30-12-14-48(62)34-20-28-6-8-32(56)42-40(28)46(48,44(30)64-42)16-18-54(34)24-26-3-4-26/h5-8,25-26,29-30,33-34,43-44,55-56,61-62H,1-4,9-24H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t29-,30-,33?,34?,43+,44+,45?,46?,47-,48-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of Opioid receptor delta 1 by the displacement of delta-selective [3H]DSLET from brain membrane preparations.


J Med Chem 30: 1991-4 (1987)


BindingDB Entry DOI: 10.7270/Q24T6JZK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021493
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C56H72N10O14/c67-35-7-5-31-19-37-55(77)13-11-33(51-53(55,47(31)49(35)79-51)15-17-65(37)27-29-1-2-29)63-45(75)25-61-43(73)23-59-41(71)21-57-39(69)9-10-40(70)58-22-42(72)60-24-44(74)62-26-46(76)64-34-12-14-56(78)38-20-32-6-8-36(68)50-48(32)54(56,52(34)80-50)16-18-66(38)28-30-3-4-30/h5-8,29-30,33-34,37-38,51-52,67-68,77-78H,1-4,9-28H2,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t33-,34-,37?,38?,51+,52+,53?,54?,55-,56-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087460
PNG
(17-cyclopropylmethyl-17'-cyclopropylmethyl-3'-hydr...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:4:5:44:8.14.13,46:27:38:30.36.35,25:26:38:30.36.35,18:19:44:8.14.13|
Show InChI InChI=1S/C41H45N3O6/c1-48-27-9-7-23-15-29-41(47)17-25-24-16-40(46)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-2-3-20)36(49-34)32(24)42-33(25)37-39(41,31(23)35(27)50-37)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,42,45-47H,2-5,10-19H2,1H3/t28?,29?,36-,37-,38-,39-,40+,41+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50059996
PNG
(7 beta-Spirobenzocyclohexylhydromorphone | CHEMBL1...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C26H27NO3/c1-27-11-10-26-18-14-25(9-8-15-4-2-3-5-17(15)13-25)23(29)24(26)30-22-20(28)7-6-16(21(22)26)12-19(18)27/h2-7,18-19,24,28H,8-14H2,1H3/t18-,19?,24-,25+,26?/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50058152
PNG
(7-(2''-Spiroindanyl)Naltrexone | 7-(2''-spiroindan...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1(Cc4ccccc4C1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C28H29NO4/c30-20-8-7-17-11-21-28(32)15-26(12-18-3-1-2-4-19(18)13-26)24(31)25-27(28,22(17)23(20)33-25)9-10-29(21)14-16-5-6-16/h1-4,7-8,16,21,25,30,32H,5-6,9-15H2/t21-,25+,27+,28-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297170
PNG
(7-(2'-spiroindanyl)oxymorphone | 7-(Spiroindano)Ox...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor delta 1 using [3H]- NT1 as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297170
PNG
(7-(2'-spiroindanyl)oxymorphone | 7-(Spiroindano)Ox...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
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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3.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand


J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059995
PNG
(7 beta-Spirobenzocyclohexyloxymorphone | CHEMBL104...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C26H27NO4/c1-27-11-10-25-20-16-6-7-18(28)21(20)31-23(25)22(29)24(14-26(25,30)19(27)12-16)9-8-15-4-2-3-5-17(15)13-24/h2-7,19,23,28,30H,8-14H2,1H3/t19?,23-,24+,25?,26+/m0/s1
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4.60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021495
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C52H66N8O12/c61-33-7-5-29-19-35-51(69)13-11-31(47-49(51,43(29)45(33)71-47)15-17-59(35)25-27-1-2-27)57-41(67)23-55-39(65)21-53-37(63)9-10-38(64)54-22-40(66)56-24-42(68)58-32-12-14-52(70)36-20-30-6-8-34(62)46-44(30)50(52,48(32)72-46)16-18-60(36)26-28-3-4-28/h5-8,27-28,31-32,35-36,47-48,61-62,69-70H,1-4,9-26H2,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t31-,32-,35?,36?,47+,48+,49?,50?,51-,52-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001674
PNG
(14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...)
Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@H]35 |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
Show InChI InChI=1S/C22H20N2O2/c25-17-6-5-11-9-16-14-10-13-12-3-1-2-4-15(12)24-19(13)21-22(14,7-8-23-16)18(11)20(17)26-21/h1-6,14,16,21,23-25H,7-10H2/t14-,16?,21-,22-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593


J Med Chem 35: 4325-9 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50058149
PNG
(7-(4'-Methoxy-2'-spiroindanyl)oxymorphone | CHEMBL...)
Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2C)c45 |TLB:21:31:12:29.27.28,13:12:31.16.15:29.27.28,30:29:12:31.16.15|
Show InChI InChI=1S/C26H27NO5/c1-27-9-8-25-20-14-6-7-17(28)21(20)32-23(25)22(29)24(13-26(25,30)19(27)10-14)11-15-4-3-5-18(31-2)16(15)12-24/h3-7,19,23,28,30H,8-13H2,1-2H3/t19?,23?,24?,25?,26-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor delta 1 using [3H]- NT1 as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50016455
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-az...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(=O)CNC(=O)CNC(C)=O)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C23H30N4O6/c1-12(28)24-10-17(30)25-11-18(31)26-14-5-6-23(32)16-9-13-3-4-15(29)20-19(13)22(23,21(14)33-20)7-8-27(16)2/h3-4,14,16,21,29,32H,5-11H2,1-2H3,(H,24,28)(H,25,30)(H,26,31)/t14-,16?,21-,22-,23+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of Opioid receptor mu 1 by the displacement of mu-selective [3H]DAGO from brain membrane preparations.


J Med Chem 30: 1991-4 (1987)


BindingDB Entry DOI: 10.7270/Q24T6JZK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049560
PNG
((4S,5'R,13'R,17'S)-2-[(5R,13R,14R,17S)-14-amino-4-...)
Show SMILES N[C@]1(CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C1=N[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)C(=O)N1 |t:31,TLB:46:45:30:50.34.33,20:19:4:24.8.7|
Show InChI InChI=1S/C42H49N5O7/c43-39(9-11-41(51)27-17-23-5-7-25(48)31-29(23)37(41,33(39)53-31)13-15-46(27)19-21-1-2-21)35-44-36(50)40(45-35)10-12-42(52)28-18-24-6-8-26(49)32-30(24)38(42,34(40)54-32)14-16-47(28)20-22-3-4-22/h5-8,21-22,27-28,33-34,48-49,51-52H,1-4,9-20,43H2,(H,44,45,50)/t27-,28-,33-,34-,37?,38?,39+,40+,41-,42-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in Guinea pig brain membranes


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021493
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C56H72N10O14/c67-35-7-5-31-19-37-55(77)13-11-33(51-53(55,47(31)49(35)79-51)15-17-65(37)27-29-1-2-29)63-45(75)25-61-43(73)23-59-41(71)21-57-39(69)9-10-40(70)58-22-42(72)60-24-44(74)62-26-46(76)64-34-12-14-56(78)38-20-32-6-8-36(68)50-48(32)54(56,52(34)80-50)16-18-66(38)28-30-3-4-30/h5-8,29-30,33-34,37-38,51-52,67-68,77-78H,1-4,9-28H2,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t33-,34-,37?,38?,51+,52+,53?,54?,55-,56-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50058150
PNG
(7-(5',6'-Benzo-2'-spiroindanyl)naltrexone | CHEMBL...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)C1(Cc2cc4ccccc4cc2C1)C[C@@]35O |TLB:36:35:18.4.5:7.13.12,THB:8:7:35:18.4.5,17:18:35:7.13.12|
Show InChI InChI=1S/C32H31NO4/c34-24-8-7-21-13-25-32(36)17-30(14-22-11-19-3-1-2-4-20(19)12-23(22)15-30)28(35)29-31(32,26(21)27(24)37-29)9-10-33(25)16-18-5-6-18/h1-4,7-8,11-12,18,25,29,34,36H,5-6,9-10,13-17H2/t25?,29?,31?,32-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor mu 1 using [3H]- DAMGO as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021499
PNG
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)
Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:57:56:40:61.44.43,THB:9:8:16:4.5.6|
Show InChI InChI=1S/C48H60N6O10/c55-31-7-5-27-19-33-47(61)13-11-29(43-45(47,39(27)41(31)63-43)15-17-53(33)23-25-1-2-25)51-37(59)21-49-35(57)9-10-36(58)50-22-38(60)52-30-12-14-48(62)34-20-28-6-8-32(56)42-40(28)46(48,44(30)64-42)16-18-54(34)24-26-3-4-26/h5-8,25-26,29-30,33-34,43-44,55-56,61-62H,1-4,9-24H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t29-,30-,33?,34?,43+,44+,45?,46?,47-,48-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059996
PNG
(7 beta-Spirobenzocyclohexylhydromorphone | CHEMBL1...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C26H27NO3/c1-27-11-10-26-18-14-25(9-8-15-4-2-3-5-17(15)13-25)23(29)24(26)30-22-20(28)7-6-16(21(22)26)12-19(18)27/h2-7,18-19,24,28H,8-14H2,1H3/t18-,19?,24-,25+,26?/m0/s1
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8.30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
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