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PubMed code 9719602

Compile data set for download or QSAR
Found 24 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50066532
PNG
(1N-[4-cyclopropylmethyl-14-oxo-10-(2-propynyloxy)-...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#C)cc1
Show InChI InChI=1S/C32H31ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h1,5-12,21,26,30H,3-4,13-19H2,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50066536
PNG
(1N-[10-cyclopropylmethoxy-4-cyclopropylmethyl-14-o...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC2CC2)cc1
Show InChI InChI=1S/C33H35ClN2O4/c34-24-9-5-20(6-10-24)7-12-28(38)35-33-14-13-25(37)31-32(33)15-16-36(18-21-1-2-21)27(33)17-23-8-11-26(30(40-31)29(23)32)39-19-22-3-4-22/h5-12,21-22,27,31H,1-4,13-19H2,(H,35,38)/b12-7+/t27?,31-,32-,33+/m0/s1
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7.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50066531
PNG
(methyl 2-[17-[2-(4-chlorophenyl)-(E)-1-ethenylcarb...)
Show SMILES COC(=O)COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H33ClN2O6/c1-39-27(38)18-40-24-10-7-21-16-25-32(34-26(37)11-6-19-4-8-22(33)9-5-19)13-12-23(36)30-31(32,28(21)29(24)41-30)14-15-35(25)17-20-2-3-20/h4-11,20,25,30H,2-3,12-18H2,1H3,(H,34,37)/b11-6+/t25?,30-,31-,32+/m0/s1
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7.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50066534
PNG
(1N-[10-allyloxy-4-cyclopropylmethyl-14-oxo-(17S)-1...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC=C)cc1
Show InChI InChI=1S/C32H33ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h2,5-12,21,26,30H,1,3-4,13-19H2,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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8.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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9n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50066533
PNG
(1N-[10-cyanomethoxy-4-cyclopropylmethyl-14-oxo-(17...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#N)cc1
Show InChI InChI=1S/C31H30ClN3O4/c32-22-7-3-19(4-8-22)5-10-26(37)34-31-12-11-23(36)29-30(31)13-15-35(18-20-1-2-20)25(31)17-21-6-9-24(38-16-14-33)28(39-29)27(21)30/h3-10,20,25,29H,1-2,11-13,15-18H2,(H,34,37)/b10-5+/t25?,29-,30-,31+/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50066530
PNG
(1N-[4-cyclopropylmethyl-10-isopropoxy-14-oxo-(17S)...)
Show SMILES CC(C)Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H35ClN2O4/c1-19(2)38-25-11-8-22-17-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)18-21-3-4-21/h5-12,19,21,26,30H,3-4,13-18H2,1-2H3,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50066533
PNG
(1N-[10-cyanomethoxy-4-cyclopropylmethyl-14-oxo-(17...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#N)cc1
Show InChI InChI=1S/C31H30ClN3O4/c32-22-7-3-19(4-8-22)5-10-26(37)34-31-12-11-23(36)29-30(31)13-15-35(18-20-1-2-20)25(31)17-21-6-9-24(38-16-14-33)28(39-29)27(21)30/h3-10,20,25,29H,1-2,11-13,15-18H2,(H,34,37)/b10-5+/t25?,29-,30-,31+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50066534
PNG
(1N-[10-allyloxy-4-cyclopropylmethyl-14-oxo-(17S)-1...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC=C)cc1
Show InChI InChI=1S/C32H33ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h2,5-12,21,26,30H,1,3-4,13-19H2,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50066532
PNG
(1N-[4-cyclopropylmethyl-14-oxo-10-(2-propynyloxy)-...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#C)cc1
Show InChI InChI=1S/C32H31ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h1,5-12,21,26,30H,3-4,13-19H2,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50066537
PNG
(1N-[4-cyclopropylmethyl-14-oxo-10-propoxy-(17S)-12...)
Show SMILES CCCOc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H35ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h5-12,21,26,30H,2-4,13-19H2,1H3,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50066532
PNG
(1N-[4-cyclopropylmethyl-14-oxo-10-(2-propynyloxy)-...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#C)cc1
Show InChI InChI=1S/C32H31ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h1,5-12,21,26,30H,3-4,13-19H2,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50066537
PNG
(1N-[4-cyclopropylmethyl-14-oxo-10-propoxy-(17S)-12...)
Show SMILES CCCOc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H35ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h5-12,21,26,30H,2-4,13-19H2,1H3,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50066531
PNG
(methyl 2-[17-[2-(4-chlorophenyl)-(E)-1-ethenylcarb...)
Show SMILES COC(=O)COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H33ClN2O6/c1-39-27(38)18-40-24-10-7-21-16-25-32(34-26(37)11-6-19-4-8-22(33)9-5-19)13-12-23(36)30-31(32,28(21)29(24)41-30)14-15-35(25)17-20-2-3-20/h4-11,20,25,30H,2-3,12-18H2,1H3,(H,34,37)/b11-6+/t25?,30-,31-,32+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50066536
PNG
(1N-[10-cyclopropylmethoxy-4-cyclopropylmethyl-14-o...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC2CC2)cc1
Show InChI InChI=1S/C33H35ClN2O4/c34-24-9-5-20(6-10-24)7-12-28(38)35-33-14-13-25(37)31-32(33)15-16-36(18-21-1-2-21)27(33)17-23-8-11-26(30(40-31)29(23)32)39-19-22-3-4-22/h5-12,21-22,27,31H,1-4,13-19H2,(H,35,38)/b12-7+/t27?,31-,32-,33+/m0/s1
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57n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50066530
PNG
(1N-[4-cyclopropylmethyl-10-isopropoxy-14-oxo-(17S)...)
Show SMILES CC(C)Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H35ClN2O4/c1-19(2)38-25-11-8-22-17-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)18-21-3-4-21/h5-12,19,21,26,30H,3-4,13-18H2,1-2H3,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50066534
PNG
(1N-[10-allyloxy-4-cyclopropylmethyl-14-oxo-(17S)-1...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC=C)cc1
Show InChI InChI=1S/C32H33ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h2,5-12,21,26,30H,1,3-4,13-19H2,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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65n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50066537
PNG
(1N-[4-cyclopropylmethyl-14-oxo-10-propoxy-(17S)-12...)
Show SMILES CCCOc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H35ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h5-12,21,26,30H,2-4,13-19H2,1H3,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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83n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50066533
PNG
(1N-[10-cyanomethoxy-4-cyclopropylmethyl-14-oxo-(17...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#N)cc1
Show InChI InChI=1S/C31H30ClN3O4/c32-22-7-3-19(4-8-22)5-10-26(37)34-31-12-11-23(36)29-30(31)13-15-35(18-20-1-2-20)25(31)17-21-6-9-24(38-16-14-33)28(39-29)27(21)30/h3-10,20,25,29H,1-2,11-13,15-18H2,(H,34,37)/b10-5+/t25?,29-,30-,31+/m0/s1
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90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50066531
PNG
(methyl 2-[17-[2-(4-chlorophenyl)-(E)-1-ethenylcarb...)
Show SMILES COC(=O)COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H33ClN2O6/c1-39-27(38)18-40-24-10-7-21-16-25-32(34-26(37)11-6-19-4-8-22(33)9-5-19)13-12-23(36)30-31(32,28(21)29(24)41-30)14-15-35(25)17-20-2-3-20/h4-11,20,25,30H,2-3,12-18H2,1H3,(H,34,37)/b11-6+/t25?,30-,31-,32+/m0/s1
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95n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50066530
PNG
(1N-[4-cyclopropylmethyl-10-isopropoxy-14-oxo-(17S)...)
Show SMILES CC(C)Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C32H35ClN2O4/c1-19(2)38-25-11-8-22-17-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)18-21-3-4-21/h5-12,19,21,26,30H,3-4,13-18H2,1-2H3,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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96n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50066536
PNG
(1N-[10-cyclopropylmethoxy-4-cyclopropylmethyl-14-o...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC2CC2)cc1
Show InChI InChI=1S/C33H35ClN2O4/c34-24-9-5-20(6-10-24)7-12-28(38)35-33-14-13-25(37)31-32(33)15-16-36(18-21-1-2-21)27(33)17-23-8-11-26(30(40-31)29(23)32)39-19-22-3-4-22/h5-12,21-22,27,31H,1-4,13-19H2,(H,35,38)/b12-7+/t27?,31-,32-,33+/m0/s1
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131n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%