Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50087468
Substrate
n/a
Meas. Tech.
ChEMBL_34033 (CHEMBL646286)
Ki
0.52±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-1A adrenergic receptor
Synonyms:
ADA1A_RAT | Adra1a | Adra1c | Alpha-1 adrenoreceptor | Alpha-1A adrenoceptor | Alpha-1A adrenoreceptor | Alpha-1C adrenergic receptor | adrenergic Alpha1A
Type:
Protein
Mol. Mass.:
51620.15
Organism:
Rattus norvegicus (Rat)
Description:
P43140
Residue:
466
Sequence:
MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
Inhibitor
Name:
BDBM50087468
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-8-carboxylic acid amide | CHEMBL290388
Type:
Small organic molecule
Emp. Form.:
C26H26N4O4S
Mol. Mass.:
490.574
SMILES:
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(N)=O)C[C@@H]3CCc12