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PubMed code 1648137

Compile data set for download or QSAR
Found 30 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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453049
PNG
(CHEMBL2115043)
Show SMILES C[C@@H]([C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21+,23+,24-,25-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453050
PNG
(CHEMBL2115466)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21-,23+,24+,25+/m0/s1
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180n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453050
PNG
(CHEMBL2115466)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21-,23+,24+,25+/m0/s1
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240n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES C[C@@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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390n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453051
PNG
(CHEMBL2115465)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,23+,24+,25+/m0/s1
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450n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453049
PNG
(CHEMBL2115043)
Show SMILES C[C@@H]([C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21+,23+,24-,25-/m1/s1
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530n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES C[C@@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453051
PNG
(CHEMBL2115465)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,23+,24+,25+/m0/s1
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8.20E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES C[C@@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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1.40E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]CTOP binding to Opioid receptor mu 1 in rat brain using radioreceptor binding assays.


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


(MOUSE)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor delta 1 using mouse vas deference assay (MVD).


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


(MOUSE)
BDBM50453049
PNG
(CHEMBL2115043)
Show SMILES C[C@@H]([C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21+,23+,24-,25-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor delta 1 using mouse vas deference assay (MVD).


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453049
PNG
(CHEMBL2115043)
Show SMILES C[C@@H]([C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21+,23+,24-,25-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES C[C@@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453049
PNG
(CHEMBL2115043)
Show SMILES C[C@@H]([C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21+,23+,24-,25-/m1/s1
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n/an/a 105n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


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


(MOUSE)
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES C[C@@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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n/an/a 166n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor delta 1 using mouse vas deference assay (MVD).


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453050
PNG
(CHEMBL2115466)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21-,23+,24+,25+/m0/s1
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n/an/a 222n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 619n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453050
PNG
(CHEMBL2115466)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21-,23+,24+,25+/m0/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453051
PNG
(CHEMBL2115465)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,23+,24+,25+/m0/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


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


(MOUSE)
BDBM50453050
PNG
(CHEMBL2115466)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21-,23+,24+,25+/m0/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor delta 1 using mouse vas deference assay (MVD).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES C[C@@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor mu 1 using guinea pig ileum assay (GPI).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor mu 1 using guinea pig ileum assay (GPI).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50453049
PNG
(CHEMBL2115043)
Show SMILES C[C@@H]([C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21+,23+,24-,25-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor mu 1 using guinea pig ileum assay (GPI).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50453050
PNG
(CHEMBL2115466)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21-,23+,24+,25+/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor mu 1 using guinea pig ileum assay (GPI).


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES C[C@@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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n/an/a 3.35E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453051
PNG
(CHEMBL2115465)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,23+,24+,25+/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


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


(MOUSE)
BDBM50453051
PNG
(CHEMBL2115465)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,23+,24+,25+/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor delta 1 using mouse vas deference assay (MVD).


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES C[C@@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP binding to Opioid receptor mu 1 in rat brain using radioreceptor binding assays.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50453051
PNG
(CHEMBL2115465)
Show SMILES C[C@H]([C@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,23+,24+,25+/m0/s1
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n/an/a 1.66E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against Opioid receptor mu 1 using guinea pig ileum assay (GPI).


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