Reaction Details Report a problem with these data
Target
Alpha-1B adrenergic receptor
Ligand
BDBM50087488
Substrate
n/a
Meas. Tech.
ChEMBL_34312 (CHEMBL648097)
Ki
0.86±n/a nM
Citation
Meyer, MD; Altenbach, RJ; Basha, FZ; Carroll, WA; Condon, S; Elmore, SW; Kerwin, JF; Sippy, KB; Tietje, K; Wendt, MD; Hancock, AA; Brune, ME; Buckner, SA; Drizin, I Structure-activity studies for a novel series of tricyclic substituted hexahydrobenz[e]isoindole alpha(1A) adrenoceptor antagonists as potential agents for the symptomatic treatment of benign prostatic hyperplasia (BPH). J Med Chem 43:1586-603 (2000) [PubMed] Article
More Info.:
Target
Name:
Alpha-1B adrenergic receptor
Synonyms:
ADA1B_MESAU | ADRA1B | Adrenergic receptor alpha | Alpha-1b adrenergic receptor | adrenergic Alpha1B
Type:
Enzyme Catalytic Domain
Mol. Mass.:
56514.13
Organism:
C.H.O.
Description:
adrenergic Alpha1B ADRA1B C.H.O.::P18841
Residue:
515
Sequence:
MNPDLDTGHNTSAPAQWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRSGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPSASPSPGYLGRGAQPPLELCAYPEWKSGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPGTEGDASNGGCDATTDLANGQPGFKSNMPLAPGHF
Inhibitor
Name:
BDBM50087488
Synonyms:
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-benzo[4,5]thieno[3,2-d]pyrimidine-7-carboxylic acid amide | CHEMBL291073
Type:
Small organic molecule
Emp. Form.:
C26H26N4O4S
Mol. Mass.:
490.574
SMILES:
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C(N)=O)C[C@@H]3CCc12