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PubMed code 10780914

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
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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PubMed
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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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12.8n/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)

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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12.9n/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)

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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17n/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)

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


(Homo sapiens (Human))
BDBM50018790
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22?,29+,30+,31+,32+,33-,34-/m1/s1
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21.7n/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)

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


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)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/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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23.6n/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)

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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28n/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)

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


(Homo sapiens (Human))
BDBM50087457
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-methoxy-6,6',7,...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
Show InChI InChI=1S/C38H41N3O6/c1-40-11-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(15-37(35,43)25(40)13-19)22-16-38(44)26-14-20-6-8-24(45-2)32-28(20)36(38,34(47-32)30(22)39-29)10-12-41(26)17-18-3-4-18/h5-8,18,25-26,33-34,39,42-44H,3-4,9-17H2,1-2H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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36.3n/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)

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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39.6n/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)

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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39.9n/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)

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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40n/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)

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


(Homo sapiens (Human))
BDBM50018790
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22?,29+,30+,31+,32+,33-,34-/m1/s1
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41.7n/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)

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


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)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/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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42n/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)

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


(Homo sapiens (Human))
BDBM50087457
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-methoxy-6,6',7,...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
Show InChI InChI=1S/C38H41N3O6/c1-40-11-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(15-37(35,43)25(40)13-19)22-16-38(44)26-14-20-6-8-24(45-2)32-28(20)36(38,34(47-32)30(22)39-29)10-12-41(26)17-18-3-4-18/h5-8,18,25-26,33-34,39,42-44H,3-4,9-17H2,1-2H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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52n/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)

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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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 wild-type Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)

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


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)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/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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102n/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)

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


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)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/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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104n/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)

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


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)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/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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104n/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)

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


(Homo sapiens (Human))
BDBM50087457
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-methoxy-6,6',7,...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
Show InChI InChI=1S/C38H41N3O6/c1-40-11-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(15-37(35,43)25(40)13-19)22-16-38(44)26-14-20-6-8-24(45-2)32-28(20)36(38,34(47-32)30(22)39-29)10-12-41(26)17-18-3-4-18/h5-8,18,25-26,33-34,39,42-44H,3-4,9-17H2,1-2H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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165n/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)

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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189n/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)

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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276n/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)

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


(Homo sapiens (Human))
BDBM50087457
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-methoxy-6,6',7,...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
Show InChI InChI=1S/C38H41N3O6/c1-40-11-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(15-37(35,43)25(40)13-19)22-16-38(44)26-14-20-6-8-24(45-2)32-28(20)36(38,34(47-32)30(22)39-29)10-12-41(26)17-18-3-4-18/h5-8,18,25-26,33-34,39,42-44H,3-4,9-17H2,1-2H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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>1.00E+3n/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)

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


(Homo sapiens (Human))
BDBM50087457
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-methoxy-6,6',7,...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
Show InChI InChI=1S/C38H41N3O6/c1-40-11-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(15-37(35,43)25(40)13-19)22-16-38(44)26-14-20-6-8-24(45-2)32-28(20)36(38,34(47-32)30(22)39-29)10-12-41(26)17-18-3-4-18/h5-8,18,25-26,33-34,39,42-44H,3-4,9-17H2,1-2H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
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>1.00E+3n/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)

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


(Homo sapiens (Human))
BDBM50018790
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22?,29+,30+,31+,32+,33-,34-/m1/s1
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>1.00E+3n/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)

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


(Homo sapiens (Human))
BDBM50018790
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22?,29+,30+,31+,32+,33-,34-/m1/s1
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>1.00E+3n/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)

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


(Homo sapiens (Human))
BDBM50018790
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22?,29+,30+,31+,32+,33-,34-/m1/s1
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>1.00E+3n/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%