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50 similar compounds to monomer 50453050

Compile data set for download or QSAR
Wt: 586.7
BDBM50455773
Wt: 764.9
BDBM50043724
Wt: 586.7
BDBM50001685
Wt: 645.7
BDBM86546
Purchase
Wt: 617.7
BDBM50016830
Wt: 673.8
BDBM50000335
Wt: 617.7
BDBM50016834
Wt: 617.7
BDBM50016833
Wt: 675.8
BDBM50000807
Wt: 660.8
BDBM50000808
Wt: 659.8
BDBM50000809
Wt: 576.6
BDBM50000653
Wt: 616.7
BDBM50000654
Wt: 560.6
BDBM50000655
Wt: 605.6
BDBM50000657
Displayed 1 to 15 (of 50 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 50455773,50043724,50001685,86546,50016830,50000335,50016834,50016833,50000807,50000808,50000809,50000653,50000654,50000655,50000657   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50455773
PNG
(CHEMBL2370868)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22+,23-/m1/s1
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0.660n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenates, using [3H]DPDPE as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
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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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes


Bioorg Med Chem Lett 8: 2685-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00472-7
BindingDB Entry DOI: 10.7270/Q2154HJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


Article DOI: 10.1021/jm00051a015
BindingDB Entry DOI: 10.7270/Q2CZ3660
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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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2681-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00476-4
BindingDB Entry DOI: 10.7270/Q24T6JWP
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...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000335
PNG
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C32H43N5O7S2/c1-17-12-20(38)13-18(2)21(17)15-22(33)27(40)36-25-29(42)34-16-24(39)35-23(14-19-10-8-7-9-11-19)28(41)37-26(30(43)44)32(5,6)46-45-31(25,3)4/h7-13,22-23,25-26,38H,14-16,33H2,1-6H3,(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,43,44)/t22-,23+,25+,26+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In Vitro evaluation for the binding affinity in homogenates of rat brain at Opioid receptor delta 1 by displacing [3H]- DSLET


J Med Chem 35: 684-7 (1992)


Article DOI: 10.1021/jm00082a008
BindingDB Entry DOI: 10.7270/Q2FB53JD
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
Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenates, using [3H]DPDPE as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
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...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM86546
PNG
(CAS_88373-73-3 | DPDPE | NSC_104787)
Show SMILES CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(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)
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3.40n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 220-30 (2005)


Article DOI: 10.1124/jpet.104.073668
BindingDB Entry DOI: 10.7270/Q26T0K6G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50016830
PNG
(13-[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)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50016833
PNG
(13-[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)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50016834
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(27(39)40)15-41-42-28/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23+/m0/s1
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12n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]naloxone


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50016830
PNG
(13-[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)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23+/m0/s1
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22n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]naloxone


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
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...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
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


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
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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52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor


Bioorg Med Chem Lett 8: 2681-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00476-4
BindingDB Entry DOI: 10.7270/Q24T6JWP
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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52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor of guinea pig brain membrane


J Med Chem 37: 4371-83 (1995)


Article DOI: 10.1021/jm00051a015
BindingDB Entry DOI: 10.7270/Q2CZ3660
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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52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in guinea pig brain membranes


Bioorg Med Chem Lett 8: 2685-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00472-7
BindingDB Entry DOI: 10.7270/Q2154HJJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50016833
PNG
(13-[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)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23-/m0/s1
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53n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000335
PNG
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C32H43N5O7S2/c1-17-12-20(38)13-18(2)21(17)15-22(33)27(40)36-25-29(42)34-16-24(39)35-23(14-19-10-8-7-9-11-19)28(41)37-26(30(43)44)32(5,6)46-45-31(25,3)4/h7-13,22-23,25-26,38H,14-16,33H2,1-6H3,(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,43,44)/t22-,23+,25+,26+/m0/s1
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58n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In Vitro evaluation for the binding affinity in homogenates of rat brain at opioid receptor mu by displacing [3H]- DAMGO


J Med Chem 35: 684-7 (1992)


Article DOI: 10.1021/jm00082a008
BindingDB Entry DOI: 10.7270/Q2FB53JD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001685
PNG
(7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-c...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22-,23-/m1/s1
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84n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenates, using [3H]DPDPE as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50455773
PNG
(CHEMBL2370868)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22+,23-/m1/s1
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105n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in guinea pig brain homogenates, using [3H]DAMGO as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
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
Binding affinity against opioid receptor mu in guinea pig brain homogenates, using [3H]DAMGO as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
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...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
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...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50016834
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(27(39)40)15-41-42-28/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23+/m0/s1
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178n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
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...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Kappa-type 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+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranes


Bioorg Med Chem Lett 8: 2685-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00472-7
BindingDB Entry DOI: 10.7270/Q2154HJJ
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM86546
PNG
(CAS_88373-73-3 | DPDPE | NSC_104787)
Show SMILES CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(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)
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1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM86546
PNG
(CAS_88373-73-3 | DPDPE | NSC_104787)
Show SMILES CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(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)
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1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
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...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Kappa-type 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


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
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]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Kappa-type 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]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Kappa-type 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


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Kappa-type 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


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
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...


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
Kappa-type 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


J Med Chem 35: 1535-41 (1992)


Article DOI: 10.1021/jm00087a006
BindingDB Entry DOI: 10.7270/Q23T9HVN
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001685
PNG
(7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-c...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22-,23-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in guinea pig brain homogenates, using [3H]DAMGO as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001685
PNG
(7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-c...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22-,23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa from guinea pig brain homogenates, using [3H]U-69593 as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
More data for this
Ligand-Target Pair
Kappa-type 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
Binding affinity against opioid receptor kappa from guinea pig brain homogenates, using [3H]U-69593 as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50455773
PNG
(CHEMBL2370868)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22+,23-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa from guinea pig brain homogenates, using [3H]U-69593 as radioligand.


J Med Chem 35: 4498-500 (1992)


Article DOI: 10.1021/jm00101a030
BindingDB Entry DOI: 10.7270/Q2N0174K
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000807
PNG
(13-[2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propion...)
Show SMILES COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
Show InChI InChI=1S/C31H41N5O8S2/c1-30(2)24(35-26(39)19(32)13-18-11-12-21(37)22(15-18)44-5)28(41)33-16-23(38)34-20(14-17-9-7-6-8-10-17)27(40)36-25(29(42)43)31(3,4)46-45-30/h6-12,15,19-20,24-25,37H,13-14,16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,24-,25-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (delta opioid receptor selective ligand)


J Med Chem 35: 2384-91 (1992)


Article DOI: 10.1021/jm00091a006
BindingDB Entry DOI: 10.7270/Q2DF6Q4K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50043724
PNG
((S)-2-({(4R,7S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H44N6O8S2/c1-37(2)31(43-32(46)26(38)17-24-13-15-25(44)16-14-24)35(49)39-20-30(45)40-27(18-22-9-5-3-6-10-22)33(47)42-29(21-52-53-37)34(48)41-28(36(50)51)19-23-11-7-4-8-12-23/h3-16,26-29,31,44H,17-21,38H2,1-2H3,(H,39,49)(H,40,45)(H,41,48)(H,42,47)(H,43,46)(H,50,51)/t26-,27-,28-,29-,31-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor was determined in rat brain using [3H]CTOP as radioligand


J Med Chem 37: 146-50 (1994)


Article DOI: 10.1021/jm00027a018
BindingDB Entry DOI: 10.7270/Q2TX3G09
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000808
PNG
(13-[2-Amino-3-(3-amino-4-hydroxy-phenyl)-propionyl...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(N)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H40N6O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,31-32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens


J Med Chem 35: 2384-91 (1992)


Article DOI: 10.1021/jm00091a006
BindingDB Entry DOI: 10.7270/Q2DF6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000807
PNG
(13-[2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propion...)
Show SMILES COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
Show InChI InChI=1S/C31H41N5O8S2/c1-30(2)24(35-26(39)19(32)13-18-11-12-21(37)22(15-18)44-5)28(41)33-16-23(38)34-20(14-17-9-7-6-8-10-17)27(40)36-25(29(42)43)31(3,4)46-45-30/h6-12,15,19-20,24-25,37H,13-14,16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,24-,25-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens


J Med Chem 35: 2384-91 (1992)


Article DOI: 10.1021/jm00091a006
BindingDB Entry DOI: 10.7270/Q2DF6Q4K
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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n/an/a 460n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against mu opioid receptor in guinea pig ileum assay


J Med Chem 37: 4371-83 (1995)


Article DOI: 10.1021/jm00051a015
BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against delta opioid receptor in mouse vas deferens assay


J Med Chem 37: 4371-83 (1995)


Article DOI: 10.1021/jm00051a015
BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000807
PNG
(13-[2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propion...)
Show SMILES COc1cc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)ccc1O
Show InChI InChI=1S/C31H41N5O8S2/c1-30(2)24(35-26(39)19(32)13-18-11-12-21(37)22(15-18)44-5)28(41)33-16-23(38)34-20(14-17-9-7-6-8-10-17)27(40)36-25(29(42)43)31(3,4)46-45-30/h6-12,15,19-20,24-25,37H,13-14,16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,24-,25-/m0/s1
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n/an/a 4.11E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


J Med Chem 35: 2384-91 (1992)


Article DOI: 10.1021/jm00091a006
BindingDB Entry DOI: 10.7270/Q2DF6Q4K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000809
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23-,24+,25+/m1/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)


J Med Chem 35: 2384-91 (1992)


Article DOI: 10.1021/jm00091a006
BindingDB Entry DOI: 10.7270/Q2DF6Q4K
More data for this
Ligand-Target Pair
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