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PubMed code 7693944

Compile data set for download or QSAR
Found 51 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
Mu opioid receptor


(CALF)
BDBM50456193
PNG
(CHEMBL607068)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C26H25N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-9,20,24,30H,10-14H2,1H3,(H,27,32)/b9-4+/t20-,24+,25+,26-/m1/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033645
PNG
(1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
Show InChI InChI=1S/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033654
PNG
(1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5+/t21?,25-,26?,27+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033647
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H31N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-11,19,23,34H,2-3,12-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033648
PNG
(1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
Show InChI InChI=1S/C27H25N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-12,20,31H,13-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033641
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:5.4.6:17|
Show InChI InChI=1S/C29H29N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,23,27,33H,1-2,11-16H2,(H,30,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033642
PNG
(1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:26.31,c:22,TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
Show InChI InChI=1S/C27H25N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-12,21,25H,13-15H2,1-2H3,(H,28,32)/t21?,25-,26?,27+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033657
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:29.35,c:26,TLB:25:24:19.5.6:8.14.13,THB:9:8:24:19.5.6,18:19:24:8.14.13|
Show InChI InChI=1S/C30H29N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-13,19,24,28H,2-3,14-17H2,1H3,(H,31,35)/t24?,28-,29?,30+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033651
PNG
(1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O |w:17.20,c:31,TLB:13:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
Show InChI InChI=1S/C26H23N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-11,20,24,30H,12-14H2,1H3,(H,27,32)/t20?,24-,25?,26+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033656
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)C=CC2=O)ccc3O |c:36,THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H29N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-13,19,23,34H,2-3,14-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50456193
PNG
(CHEMBL607068)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C26H25N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-9,20,24,30H,10-14H2,1H3,(H,27,32)/b9-4+/t20-,24+,25+,26-/m1/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033652
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3OC |r,THB:10:9:5.4.6:17|
Show InChI InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6+/t24-,28+,29+,30-/m1/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033651
PNG
(1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O |w:17.20,c:31,TLB:13:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
Show InChI InChI=1S/C26H23N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-11,20,24,30H,12-14H2,1H3,(H,27,32)/t20?,24-,25?,26+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033651
PNG
(1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O |w:17.20,c:31,TLB:13:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
Show InChI InChI=1S/C26H23N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-11,20,24,30H,12-14H2,1H3,(H,27,32)/t20?,24-,25?,26+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033657
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:29.35,c:26,TLB:25:24:19.5.6:8.14.13,THB:9:8:24:19.5.6,18:19:24:8.14.13|
Show InChI InChI=1S/C30H29N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-13,19,24,28H,2-3,14-17H2,1H3,(H,31,35)/t24?,28-,29?,30+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50456193
PNG
(CHEMBL607068)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C26H25N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-9,20,24,30H,10-14H2,1H3,(H,27,32)/b9-4+/t20-,24+,25+,26-/m1/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033653
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:28.34,c:25,TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12|
Show InChI InChI=1S/C29H27N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-12,18,23,27,33H,1-2,13-16H2,(H,30,35)/t23?,27-,28?,29+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033647
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H31N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-11,19,23,34H,2-3,12-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033653
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:28.34,c:25,TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12|
Show InChI InChI=1S/C29H27N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-12,18,23,27,33H,1-2,13-16H2,(H,30,35)/t23?,27-,28?,29+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033641
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:5.4.6:17|
Show InChI InChI=1S/C29H29N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,23,27,33H,1-2,11-16H2,(H,30,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033654
PNG
(1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5+/t21?,25-,26?,27+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033641
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:5.4.6:17|
Show InChI InChI=1S/C29H29N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,23,27,33H,1-2,11-16H2,(H,30,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033655
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)CCc1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H33N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-5,7-10,19,23,34H,2-3,6,11-17H2,1H3,(H,31,36)/t23?,28-,29?,30+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033655
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)CCc1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H33N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-5,7-10,19,23,34H,2-3,6,11-17H2,1H3,(H,31,36)/t23?,28-,29?,30+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033656
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)C=CC2=O)ccc3O |c:36,THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H29N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-13,19,23,34H,2-3,14-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033648
PNG
(1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
Show InChI InChI=1S/C27H25N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-12,20,31H,13-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033656
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)C=CC2=O)ccc3O |c:36,THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H29N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-13,19,23,34H,2-3,14-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033654
PNG
(1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5+/t21?,25-,26?,27+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033644
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-13-methyl-14-ox...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
Show InChI InChI=1S/C31H33N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-12,20,24H,3-4,13-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033646
PNG
(1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:23,TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
Show InChI InChI=1S/C28H27N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-13,21H,14-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033650
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-13-methyl-14-ox...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:27,TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
Show InChI InChI=1S/C31H31N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-14,20,24H,3-4,15-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033652
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3OC |r,THB:10:9:5.4.6:17|
Show InChI InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6+/t24-,28+,29+,30-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033642
PNG
(1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:26.31,c:22,TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
Show InChI InChI=1S/C27H25N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-12,21,25H,13-15H2,1-2H3,(H,28,32)/t21?,25-,26?,27+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033645
PNG
(1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
Show InChI InChI=1S/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033657
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:29.35,c:26,TLB:25:24:19.5.6:8.14.13,THB:9:8:24:19.5.6,18:19:24:8.14.13|
Show InChI InChI=1S/C30H29N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-13,19,24,28H,2-3,14-17H2,1H3,(H,31,35)/t24?,28-,29?,30+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033642
PNG
(1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:26.31,c:22,TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
Show InChI InChI=1S/C27H25N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-12,21,25H,13-15H2,1-2H3,(H,28,32)/t21?,25-,26?,27+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50033643
PNG
(1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
Show InChI InChI=1S/C28H29N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-11,21H,12-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033653
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:28.34,c:25,TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12|
Show InChI InChI=1S/C29H27N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-12,18,23,27,33H,1-2,13-16H2,(H,30,35)/t23?,27-,28?,29+/m0/s1
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n/an/a 106n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033645
PNG
(1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
Show InChI InChI=1S/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1
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n/an/a 116n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033647
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H31N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-11,19,23,34H,2-3,12-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033655
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)CCc1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H33N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-5,7-10,19,23,34H,2-3,6,11-17H2,1H3,(H,31,36)/t23?,28-,29?,30+/m0/s1
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n/an/a 162n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033646
PNG
(1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:23,TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
Show InChI InChI=1S/C28H27N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-13,21H,14-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1
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n/an/a 171n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033648
PNG
(1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
Show InChI InChI=1S/C27H25N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-12,20,31H,13-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1
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n/an/a 184n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033652
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3OC |r,THB:10:9:5.4.6:17|
Show InChI InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6+/t24-,28+,29+,30-/m1/s1
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n/an/a 248n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033650
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-13-methyl-14-ox...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:27,TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
Show InChI InChI=1S/C31H31N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-14,20,24H,3-4,15-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1
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n/an/a 274n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033646
PNG
(1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:23,TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
Show InChI InChI=1S/C28H27N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-13,21H,14-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1
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n/an/a 374n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033650
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-13-methyl-14-ox...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:27,TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
Show InChI InChI=1S/C31H31N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-14,20,24H,3-4,15-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1
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Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033644
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-13-methyl-14-ox...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
Show InChI InChI=1S/C31H33N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-12,20,24H,3-4,13-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1
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n/an/a 672n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033643
PNG
(1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
Show InChI InChI=1S/C28H29N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-11,21H,12-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033643
PNG
(1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...)
Show SMILES COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
Show InChI InChI=1S/C28H29N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-11,21H,12-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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


(Homo sapiens (Human))
BDBM50033644
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-13-methyl-14-ox...)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
Show InChI InChI=1S/C31H33N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-12,20,24H,3-4,13-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.


J Med Chem 36: 3154-60 (1993)

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