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PubMed code 16989522

Compile data set for download or QSAR
Found 7 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))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells


J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 138n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells


J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269337
PNG
(CHEMBL497516 | Grandisine F)
Show SMILES C[C@H]1C[C@H](N)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:6|
Show InChI InChI=1S/C16H24N2O2/c1-9-7-10(17)8-13-14(9)16(19)15-11-3-2-5-18(11)6-4-12(15)20-13/h9-12,15H,2-8,17H2,1H3/t9-,10-,11-,12+,15-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells


J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269336
PNG
(grandisine D)
Show SMILES C[C@H]1CC=CC(=O)[C@@H]1C(=O)C1=CCC[NH+]2CCC[C@@H]12 |r,c:3,t:11|
Show InChI InChI=1S/C16H21NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,6,8,11,13,15H,3-5,7,9-10H2,1H3/p+1/t11-,13-,15+/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells


J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269357
PNG
((-)-isoelaeocarpiline | CHEMBL521711)
Show SMILES C[C@H]1CC=CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:3,5|
Show InChI InChI=1S/C16H21NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,6,10-11,13,15H,3-5,7-9H2,1H3/t10-,11-,13+,15-/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells


J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269339
PNG
(CHEMBL509995 | Grandisine C)
Show SMILES C[C@H]1C[C@H](O)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2 |r,c:6|
Show InChI InChI=1S/C16H23NO3/c1-9-7-10(18)8-13-14(9)16(19)15-11-3-2-5-17(11)6-4-12(15)20-13/h9-12,15,18H,2-8H2,1H3/t9-,10-,11-,12+,15-/m0/s1
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n/an/a 1.46E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells


J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269338
PNG
(Grandisine G)
Show SMILES COC(=O)C[C@@H]1C[C@H](C)CC(=N1)C1=CCC[NH+]2CCCC12 |r,c:10,t:13|
Show InChI InChI=1S/C17H26N2O2/c1-12-9-13(11-17(20)21-2)18-15(10-12)14-5-3-7-19-8-4-6-16(14)19/h5,12-13,16H,3-4,6-11H2,1-2H3/p+1/t12-,13-,16?/m0/s1
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n/an/a 7.54E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells


J Nat Prod 69: 1295-9 (2006)


Article DOI: 10.1021/np060179c
BindingDB Entry DOI: 10.7270/Q2KS6SFF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%