Ki Summary

Reaction Details

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Target

Delta-type opioid receptor

Ligand

BDBM50325853

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

BDBM50325853

n/a

Name

BDBM50325853

Synonyms:

CHEMBL1223872 | cis-3-((1R,3R,5S)-8-(2-((4S)-4-(3,3-dimethylureido)cyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yloxy)benzamide

Type

Small organic molecule

Emp. Form.

C25H38N4O3

Mol. Mass.

442.5942

SMILES

CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,wD:9.9,18.21,6.5,TLB:11:12:18.19.17:14.15,(4,-10.81,;2.6,-11.44,;1.35,-10.54,;2.44,-12.97,;1.04,-13.61,;3.69,-13.87,;5.1,-13.24,;5.25,-11.71,;6.65,-11.08,;7.9,-11.98,;9.3,-11.34,;10.55,-12.23,;12.17,-11.3,;12.75,-13.23,;11.23,-12.95,;10.57,-11.46,;11.14,-10.17,;12.63,-9.77,;13.87,-10.69,;13.92,-12.22,;15.23,-9.98,;16.54,-10.8,;16.47,-12.35,;17.77,-13.17,;19.14,-12.45,;19.2,-10.91,;17.9,-10.09,;20.56,-10.19,;21.86,-11,;20.62,-8.65,;7.76,-13.51,;6.35,-14.14,)|

Structure