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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50056543'   
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


(Rattus norvegicus (rat))
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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0.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
In vitro binding affinity to Opioid receptor delta 1 in rat brain membranes by [3H]DADLE (Tyr-D-Ala-Gly-Phe-D-Leu) displacement.


J Med Chem 42: 5455-63 (2000)


BindingDB Entry DOI: 10.7270/Q2QJ7J0X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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n/an/a 0.940n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]DADLE binding to rat brain Opioid receptor delta 1


J Med Chem 40: 695-704 (1997)


Article DOI: 10.1021/jm960319n
BindingDB Entry DOI: 10.7270/Q2F190DS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Binding inhibition of [3H]- -naltrindole (0.15 nM) to membranes in CHO cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 9: 1323-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PC32VS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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n/an/a 9.20n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]DADLE binding to rat brain Opioid receptor delta 1


J Med Chem 40: 695-704 (1997)


Article DOI: 10.1021/jm960319n
BindingDB Entry DOI: 10.7270/Q2F190DS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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n/an/a 9.22n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]DADLE binding to rat brain Opioid receptor delta 1


J Med Chem 40: 695-704 (1997)


Article DOI: 10.1021/jm960319n
BindingDB Entry DOI: 10.7270/Q2F190DS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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n/an/a 11n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity using electrically induced smooth muscle contraction of mouse vas deferens.


J Med Chem 42: 5455-63 (2000)


BindingDB Entry DOI: 10.7270/Q2QJ7J0X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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n/an/a 11n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity was evaluated in mouse vas deferens (MVD) preparations at Opioid receptor delta 1


J Med Chem 40: 695-704 (1997)


Article DOI: 10.1021/jm960319n
BindingDB Entry DOI: 10.7270/Q2F190DS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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n/an/a 126n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity was evaluated in mouse vas deferens (MVD) preparations at Opioid receptor delta 1


J Med Chem 40: 695-704 (1997)


Article DOI: 10.1021/jm960319n
BindingDB Entry DOI: 10.7270/Q2F190DS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50056543
PNG
(4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1
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n/an/a 182n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity was evaluated in mouse vas deferens (MVD) preparations at Opioid receptor delta 1


J Med Chem 40: 695-704 (1997)


Article DOI: 10.1021/jm960319n
BindingDB Entry DOI: 10.7270/Q2F190DS
More data for this
Ligand-Target Pair