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9 similar compounds to monomer 50133257

Compile data set for download or QSAR
Wt: 673.8
BDBM50000335
Wt: 687.8
BDBM50001092
Wt: 659.8
BDBM50000801
Wt: 659.8
BDBM50000806
Wt: 647.8
BDBM50013620
Wt: 687.8
BDBM50038422
Wt: 687.8
BDBM50084127
Wt: 689.8
BDBM50133261
Wt: 689.8
BDBM50133264

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50000335,50001092,50000801,50000806,50013620,50038422,50084127,50133261,50133264   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001092
PNG
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)
Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C33H45N5O7S2/c1-18-13-21(39)14-19(2)22(18)16-23(34)28(41)37-26-30(43)35-17-25(40)36-24(15-20-11-9-8-10-12-20)29(42)38-27(31(44)45-7)33(5,6)47-46-32(26,3)4/h8-14,23-24,26-27,39H,15-17,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,41)(H,38,42)/t23-,24+,26+,27+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



G.D. Searle and Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay


J Med Chem 35: 2928-38 (1992)


Article DOI: 10.1021/jm00094a002
BindingDB Entry DOI: 10.7270/Q2ST7QF6
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001092
PNG
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)
Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C
Show InChI InChI=1S/C33H45N5O7S2/c1-18-13-21(39)14-19(2)22(18)16-23(34)28(41)37-26-30(43)35-17-25(40)36-24(15-20-11-9-8-10-12-20)29(42)38-27(31(44)45-7)33(5,6)47-46-32(26,3)4/h8-14,23-24,26-27,39H,15-17,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,41)(H,38,42)/t23-,24+,26+,27+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



G.D. Searle and Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay


J Med Chem 35: 2928-38 (1992)


Article DOI: 10.1021/jm00094a002
BindingDB Entry DOI: 10.7270/Q2ST7QF6
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))
BDBM50013620
PNG
(2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,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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11n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50013620
PNG
(2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,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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11n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50013620
PNG
(2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,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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570n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of opioid receptor delta


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50013620
PNG
(2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,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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570n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013620
PNG
(2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,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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2.22E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013620
PNG
(2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,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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2.22E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- EK in guinea pig brain membrane of opioid receptor kappa


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50084127
PNG
((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50084127
PNG
((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50084127
PNG
((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from mouse vas deferens expressed in delta opioid receptors


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50084127
PNG
((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-deltorphin binding to Opioid receptor delta 1 using rat brain membranes.


J Med Chem 42: 5359-68 (2000)


Article DOI: 10.1021/jm990337f
BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50084127
PNG
((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 using rat brain membranes


J Med Chem 42: 5359-68 (2000)


Article DOI: 10.1021/jm990337f
BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50133261
PNG
(CHEMBL134652 | [(2R,3R)-TMT1]DPDPE)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25-,26-,27-/m1/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor mu 1 in functional assay,G...


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
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n/an/an/an/a 290n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor mu 1 in functional assay,G...


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50038422
PNG
((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26-,27-/m0/s1
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n/an/a 722n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity opioid receptor


J Med Chem 37: 1746-57 (1994)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50133261
PNG
(CHEMBL134652 | [(2R,3R)-TMT1]DPDPE)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25-,26-,27-/m1/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 using [3H]- CTOP as radioligand


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
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n/an/a 210n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 using [3H]- [p-CIPhe4] DPDPE as radioligand


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50133261
PNG
(CHEMBL134652 | [(2R,3R)-TMT1]DPDPE)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25-,26-,27-/m1/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assa...


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133261
PNG
(CHEMBL134652 | [(2R,3R)-TMT1]DPDPE)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25-,26-,27-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 using [3H]- [p-CIPhe4] DPDPE as radioligand


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
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n/an/a 720n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 using [3H]- CTOP as radioligand


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
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n/an/an/an/a 170n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assa...


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50038422
PNG
((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26-,27-/m0/s1
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n/an/an/an/a 293n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards mu opioid receptor using guinea pig ileum (GPI,mu) bioassay in vitro


J Med Chem 37: 1746-57 (1994)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50038422
PNG
((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26-,27-/m0/s1
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n/an/an/an/a 168n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro


J Med Chem 37: 1746-57 (1994)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50038422
PNG
((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...)
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)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26-,27-/m0/s1
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n/an/a 211n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity opioid receptor


J Med Chem 37: 1746-57 (1994)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000801
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22+,24+,25+/m1/s1
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n/an/a 6.61E+3n/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 Guinea pig ileum


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)
BDBM50000801
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22+,24+,25+/m1/s1
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n/an/a 763n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the percentage of maximum inhibition at Opioid receptor delta 1


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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000801
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22+,24+,25+/m1/s1
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n/an/a 1.13E+3n/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]-[p-Cl-Phe4]-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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 0.890n/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 (opioid receptor delta 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
Delta-type opioid receptor


(MOUSE)
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 4.5n/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 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000801
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22+,24+,25+/m1/s1
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n/an/a 1.66E+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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 431n/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 of Guinea pig ileum


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))
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 1.17E+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 (opioid receptor mu 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