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PubMed code 14711299

Compile data set for download or QSAR
Found 9 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))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
[3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50138632
PNG
(1-Phenyl-cyclopentanecarboxylic acid [(S)-5-(3-hyd...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)/t27?,31-,32?,36?/m1/s1
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0.960n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
[3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50138633
PNG
(1-Phenyl-cyclopentanecarboxylic acid [5-(3-hydroxy...)
Show SMILES CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)
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2.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
[3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50138634
PNG
(1-Phenyl-cyclopentanecarboxylic acid [(R)-5-(3-hyd...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)/t27?,31-,32?,36?/m0/s1
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9.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
[3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]DPDPE as radioligand


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50138632
PNG
(1-Phenyl-cyclopentanecarboxylic acid [(S)-5-(3-hyd...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)/t27?,31-,32?,36?/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist potency at cloned human delta-opioid receptor


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50138633
PNG
(1-Phenyl-cyclopentanecarboxylic acid [5-(3-hydroxy...)
Show SMILES CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)
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n/an/a 2.40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist potency at cloned human delta-opioid receptor


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50064515
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-o-tolyl-allyl)-pi...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+/t19-,23+/m0/s1
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PubMed
n/an/a 2.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist potency at cloned human opioid receptor delta 1


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50138634
PNG
(1-Phenyl-cyclopentanecarboxylic acid [(R)-5-(3-hyd...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)/t27?,31-,32?,36?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist potency at cloned human opioid receptor delta 1


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%