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PubMed code 1315870

Compile data set for download or QSAR
Found 39 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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000650
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31ClN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-3-7-16(27)8-4-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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0.980n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates


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


(Homo sapiens (human))
BDBM50000659
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-3-7-16(27)8-4-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


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


(Homo sapiens (human))
BDBM50000657
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31N5O8S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-3-7-16(8-4-15)31(38)39)28-24(35)20(13-40-41-26)29-22(33)18(27)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


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


(Homo sapiens (human))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


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


(Homo sapiens (human))
BDBM50000652
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-4-3-5-16(27)10-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-6-8-17(32)9-7-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates


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


(Homo sapiens (human))
BDBM50000656
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2F)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-5-3-4-6-17(15)27)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-7-9-16(32)10-8-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates


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


(Homo sapiens (human))
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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4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


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


(Homo sapiens (human))
BDBM50000658
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES Cc1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S2/c1-15-4-6-17(7-5-15)13-20-24(34)31-22(26(36)37)27(2,3)39-38-14-21(25(35)29-20)30-23(33)19(28)12-16-8-10-18(32)11-9-16/h4-11,19-22,32H,12-14,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t19-,20-,21-,22+/m0/s1
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5.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates


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


(Homo sapiens (human))
BDBM50000651
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-4-3-5-17(32)10-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-6-8-16(31)9-7-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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9.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates


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


(Homo sapiens (human))
BDBM50000653
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-5-9-17(32)10-6-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-3-7-16(31)8-4-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


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


(Homo sapiens (human))
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates


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


(GUINEA PIG)
BDBM50000652
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-4-3-5-16(27)10-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-6-8-17(32)9-7-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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56n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


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


(GUINEA PIG)
BDBM50000656
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2F)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-5-3-4-6-17(15)27)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-7-9-16(32)10-8-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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92n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


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


(GUINEA PIG)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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107n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


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


(GUINEA PIG)
BDBM50000657
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31N5O8S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-3-7-16(8-4-15)31(38)39)28-24(35)20(13-40-41-26)29-22(33)18(27)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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137n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


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


(Homo sapiens (human))
BDBM50000651
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-4-3-5-17(32)10-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-6-8-16(31)9-7-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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148n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


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


(GUINEA PIG)
BDBM50000659
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-3-7-16(27)8-4-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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161n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


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


(GUINEA PIG)
BDBM50000650
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31ClN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-3-7-16(27)8-4-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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327n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


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


(Homo sapiens (human))
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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648n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


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


(GUINEA PIG)
BDBM50000651
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-4-3-5-17(32)10-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-6-8-16(31)9-7-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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712n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


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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810n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to mOpioid receptor mu 1 in guinea pig brain h...


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


(GUINEA PIG)
BDBM50000658
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES Cc1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S2/c1-15-4-6-17(7-5-15)13-20-24(34)31-22(26(36)37)27(2,3)39-38-14-21(25(35)29-20)30-23(33)19(28)12-16-8-10-18(32)11-9-16/h4-11,19-22,32H,12-14,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t19-,20-,21-,22+/m0/s1
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1.75E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


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


(GUINEA PIG)
BDBM50000651
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-4-3-5-17(32)10-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-6-8-16(31)9-7-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


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


(GUINEA PIG)
BDBM50000653
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-5-9-17(32)10-6-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-3-7-16(31)8-4-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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3.45E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


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


(GUINEA PIG)
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


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


(Cavia porcellus (domestic 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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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000650
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31ClN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-3-7-16(27)8-4-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000658
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES Cc1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S2/c1-15-4-6-17(7-5-15)13-20-24(34)31-22(26(36)37)27(2,3)39-38-14-21(25(35)29-20)30-23(33)19(28)12-16-8-10-18(32)11-9-16/h4-11,19-22,32H,12-14,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t19-,20-,21-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000656
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2F)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-5-3-4-6-17(15)27)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-7-9-16(32)10-8-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000651
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-4-3-5-17(32)10-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-6-8-16(31)9-7-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


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


(GUINEA PIG)
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


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


(Cavia porcellus (domestic guinea pig))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000652
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-4-3-5-16(27)10-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-6-8-17(32)9-7-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000653
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-5-9-17(32)10-6-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-3-7-16(31)8-4-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000657
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31N5O8S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-3-7-16(8-4-15)31(38)39)28-24(35)20(13-40-41-26)29-22(33)18(27)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000659
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-3-7-16(27)8-4-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


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


(Cavia porcellus (domestic guinea pig))
BDBM50000651
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-4-3-5-17(32)10-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-6-8-16(31)9-7-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates


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