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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50376593'   
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))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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Article
PubMed
160n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from DOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in rat brain membrane


J Med Chem 51: 2571-4 (2008)


Article DOI: 10.1021/jm701404s
BindingDB Entry DOI: 10.7270/Q27945JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/a 3.03E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens


J Med Chem 51: 2571-4 (2008)


Article DOI: 10.1021/jm701404s
BindingDB Entry DOI: 10.7270/Q27945JN
More data for this
Ligand-Target Pair