Reaction Details Report a problem with these data
Target
Delta-type opioid receptor
Ligand
BDBM50248035
Substrate
n/a
Meas. Tech.
ChEMBL_1281345 (CHEMBL3101318)
Ki
5200±n/a nM
Citation
 Hershberger, PM; Hedrick, MP; Peddibhotla, S; Mangravita-Novo, A; Gosalia, P; Li, Y; Gray, W; Vicchiarelli, M; Smith, LH; Chung, TD; Thomas, JB; Caron, MG; Pinkerton, AB; Barak, LS; Roth, GP Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett 24:262-7 (2013) [PubMed]  Article 
Target
Name:
Delta-type opioid receptor
Synonyms:
D-OR-1 | DOR-1 | Delta opioid receptor | Delta-type opioid receptor (Delta) | OPIATE Delta | OPRD | OPRD1 | OPRD_HUMAN | OPRK1 | opioid receptor, delta 1
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:
MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
  
Inhibitor
Name:
BDBM50248035
Synonyms:
(2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxamido)-4-methylpentanoic acid | CHEMBL508044
Type:
Small organic molecule
Emp. Form.:
C27H27ClN4O5
Mol. Mass.:
522.98
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)|
Structure:
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