Ki Summary

Reaction Details

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Target

Delta-type opioid receptor

Ligand

BDBM50325850

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_652660 (CHEMBL1225863)

IC50

>30000±n/a nM

Citation

Brugel, TA; Smith, RW; Balestra, M; Becker, C; Daniels, T; Koether, GM; Throner, SR; Panko, LM; Brown, DG; Liu, R; Gordon, J; Peters, MF SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2. Bioorg Med Chem Lett20:5405-10 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Delta-type opioid receptor

Name:

Delta-type opioid receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

40382.98

Organism:

Homo sapiens (Human)

Description:

Competition binding assays were carried out using membrane preparations from transfected HN9.10 cells that constitutively expressed the delta opioid receptor.

Residue:

372

Sequence:

MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVC
AVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELL
CKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVG
VPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRL
RSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAAL
HLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTAC
TPSDGPGGGAAA

BDBM50325850

n/a

Name

BDBM50325850

Synonyms:

CHEMBL1223817 | trans-3-((1R,3R,5S)-8-(((4R)-4-(3,3-dimethylureido)cyclohexyl)methyl)-8-azabicyclo[3.2.1]octan-3-yloxy)benzamide

Type

Small organic molecule

Emp. Form.

C24H36N4O3

Mol. Mass.

428.5676

SMILES

CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,6.5,wD:9.9,17.20,TLB:10:11:17.18.16:13.14,(2.63,-3.14,;1.38,-2.24,;1.53,-.7,;-.03,-2.87,;-1.28,-1.97,;-.18,-4.4,;1.07,-5.3,;2.47,-4.67,;3.72,-5.56,;3.57,-7.09,;4.82,-7.98,;6.44,-7.05,;7.01,-8.98,;5.5,-8.7,;4.84,-7.22,;5.4,-5.92,;6.89,-5.52,;8.14,-6.45,;8.18,-7.97,;9.5,-5.73,;10.8,-6.55,;10.74,-8.1,;12.04,-8.92,;13.4,-8.21,;13.46,-6.66,;12.16,-5.84,;14.82,-5.94,;16.13,-6.76,;14.88,-4.4,;2.17,-7.74,;.91,-6.83,)|

Structure