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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50297170'   
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))
BDBM50297170
PNG
(7-(2'-spiroindanyl)oxymorphone | 7-(Spiroindano)Ox...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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PubMed
1.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonism against bradykinin receptor B2 in guinea pig ileal tissue


J Med Chem 36: 2572-4 (1993)


BindingDB Entry DOI: 10.7270/Q27H1K62
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297170
PNG
(7-(2'-spiroindanyl)oxymorphone | 7-(Spiroindano)Ox...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor delta 1 using [3H]- NT1 as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297170
PNG
(7-(2'-spiroindanyl)oxymorphone | 7-(Spiroindano)Ox...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297170
PNG
(7-(2'-spiroindanyl)oxymorphone | 7-(Spiroindano)Ox...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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PubMed
3.30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Selective binding affinity against Opioid receptor delta 2, using [3H]DSLET as radioligand


J Med Chem 36: 2572-4 (1993)


BindingDB Entry DOI: 10.7270/Q27H1K62
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297170
PNG
(7-(2'-spiroindanyl)oxymorphone | 7-(Spiroindano)Ox...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]- diprenorphine from delta receptor expressed in HEK 293 cells


J Med Chem 44: 857-62 (2001)


BindingDB Entry DOI: 10.7270/Q27H1K9D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297170
PNG
(7-(2'-spiroindanyl)oxymorphone | 7-(Spiroindano)Ox...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18-,22+,24+,25-/m1/s1
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PubMed
46.6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]- diprenorphine from delta-W284E-receptor expressed in HEK 293 cells


J Med Chem 44: 857-62 (2001)


BindingDB Entry DOI: 10.7270/Q27H1K9D
More data for this
Ligand-Target Pair