Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50262513
Substrate
n/a
Meas. Tech.
ChEMBL_509628 (CHEMBL1003956)
Ki
5670±n/a nM
Citation
 Funke, U; Fischer, S; Hiller, A; Scheunemann, M; Deuther-Conrad, W; Brust, P; Steinbach, J 3-(4-(6-Fluoroalkoxy-3,4-dihydroisoquinoline-2(1H)-yl)cyclohexyl)-1H-indole-5-carbonitriles for SERT imaging: chemical synthesis, evaluation in vitro and radiofluorination. Bioorg Med Chem Lett 18:4727-30 (2008) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1A
Synonyms:
5-HT-1A | 5-HT1 | 5-HT1A | 5-Hydroxytryptamine receptor 1A (5-HT1A) | 5-hydroxytryptamine receptor 1A (5HT1A) | 5HT1A_RAT | 5ht1a | G-21 | Htr1a | Serotonin 1 (5-HT1) receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | Serotonin receptor 1A
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46445.29
Organism:
Rattus norvegicus (rat)
Description:
Binding assays were performed using rat hippocampal membranes.
Residue:
422
Sequence:
MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
  
Inhibitor
Name:
BDBM50262513
Synonyms:
CHEMBL449277 | cis-3-(4-(6-(3-fluoropropoxy)-3,4-dihydroisoquinolin-2(1H)-yl)cyclohexyl)-1H-indole-5-carbonitrile
Type:
Small organic molecule
Emp. Form.:
C27H30FN3O
Mol. Mass.:
431.545
SMILES:
FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.16,18.23,(10.45,-15.31,;10.45,-13.77,;9.11,-13,;9.12,-11.46,;7.78,-10.69,;6.45,-11.46,;6.45,-13,;5.11,-13.76,;3.79,-12.99,;2.46,-13.76,;1.13,-12.98,;1.13,-11.45,;2.47,-10.68,;3.8,-11.45,;5.13,-10.69,;-.2,-13.75,;-.2,-15.29,;-1.53,-16.06,;-2.87,-15.28,;-2.88,-13.76,;-1.54,-12.98,;-4.2,-16.06,;-4.35,-17.6,;-5.87,-17.93,;-6.65,-16.59,;-8.16,-16.28,;-8.64,-14.82,;-7.61,-13.66,;-6.11,-13.97,;-5.62,-15.43,;-8.09,-12.2,;-8.58,-10.74,)|
Structure:
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