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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50014831   
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))
BDBM50148071
PNG
((-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
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Article
PubMed
n/an/an/an/a 1.11E+3n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human opioid receptor delta 1 ex...


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50148076
PNG
(17-cyclopropylmethyl-3-hydroxy-10-(3-phenylpropoxy...)
Show SMILES Oc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:9:8:21:32.5.6|
Show InChI InChI=1S/C29H35NO3/c31-24-13-14-29(33-17-5-8-21-6-2-1-3-7-21)26-18-23-9-4-10-25(32)27(23)28(29,19-24)15-16-30(26)20-22-11-12-22/h1-4,6-7,9-10,22,26,32H,5,8,11-20H2/t26-,28?,29-/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human opioid receptor delta 1 ex...


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50148070
PNG
(3-butoxy-17-cyclopropylmethyl-10-methoxy-(1R,9R,10...)
Show SMILES CCCCOc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:13:12:25:28.9.10|
Show InChI InChI=1S/C25H35NO3/c1-3-4-14-29-21-7-5-6-19-15-22-25(28-2)11-10-20(27)16-24(25,23(19)21)12-13-26(22)17-18-8-9-18/h5-7,18,22H,3-4,8-17H2,1-2H3/t22-,24?,25-/m1/s1
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n/an/an/an/a 1.61E+3n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human opioid receptor delta 1 ex...


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50148072
PNG
(4-cyclopropylmethyl-17-(3-phenylpropoxy)-(1S,5R,17...)
Show SMILES O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4cccc5OC1C2(CCN3CC1CC1)c45 |TLB:28:27:4:32.17.16|
Show InChI InChI=1S/C29H33NO3/c31-23-13-14-29(32-17-5-8-20-6-2-1-3-7-20)25-18-22-9-4-10-24-26(22)28(29,27(23)33-24)15-16-30(25)19-21-11-12-21/h1-4,6-7,9-10,21,25,27H,5,8,11-19H2/t25-,27?,28?,29-/m1/s1
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n/an/an/an/a 87n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human opioid receptor delta 1 ex...


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50148073
PNG
(17-cyclopropylmethyl-3-methoxy-10-(3-phenylpropoxy...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:10:9:22:33.6.7|
Show InChI InChI=1S/C30H37NO3/c1-33-26-11-5-10-24-19-27-30(34-18-6-9-22-7-3-2-4-8-22)15-14-25(32)20-29(30,28(24)26)16-17-31(27)21-23-12-13-23/h2-5,7-8,10-11,23,27H,6,9,12-21H2,1H3/t27-,29?,30-/m1/s1
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n/an/an/an/a 21n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human opioid receptor delta 1 ex...


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair