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PubMed code 18039010

Compile data set for download or QSAR
Found 4 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 1.20n/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 HEK cells

J Nat Prod 70: 1946-50 (2007)


Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG
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 HEK cells

J Nat Prod 70: 1946-50 (2007)


Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50228176
PNG
(peripentadenine)
Show SMILES CCCCCC(=O)NCCC[NH+]1CCCC1CC(=O)c1c(C)cccc1O
Show InChI InChI=1S/C22H34N2O3/c1-3-4-5-12-21(27)23-13-8-15-24-14-7-10-18(24)16-20(26)22-17(2)9-6-11-19(22)25/h6,9,11,18,25H,3-5,7-8,10,12-16H2,1-2H3,(H,23,27)/p+1
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n/an/a 1.14E+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 HEK cells

J Nat Prod 70: 1946-50 (2007)


Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50228177
PNG
(peripentonine C)
Show SMILES CCCCCC(=O)NCCC[NH+]1CCC[C@H]1CC(O)=O |w:11.10|
Show InChI InChI=1S/C15H28N2O3/c1-2-3-4-8-14(18)16-9-6-11-17-10-5-7-13(17)12-15(19)20/h13H,2-12H2,1H3,(H,16,18)(H,19,20)/p+1/t13-/m0/s1
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n/an/a 3.09E+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 HEK cells

J Nat Prod 70: 1946-50 (2007)


Article DOI: 10.1021/np070516x
BindingDB Entry DOI: 10.7270/Q23J3DSG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%