Reaction Details Report a problem with these data
Target
Alpha-1B adrenergic receptor
Ligand
BDBM50100237
Substrate
n/a
Meas. Tech.
ChEMBL_34198 (CHEMBL649215)
Ki
1.28±n/a nM
Citation
Meyer, MD; Altenbach, RJ; Bai, H; Basha, FZ; Carroll, WA; Kerwin, JF; Lebold, SA; Lee, E; Pratt, JK; Sippy, KB; Tietje, K; Wendt, MD; Brune, ME; Buckner, SA; Hancock, AA; Drizin, I Structure-activity studies for a novel series of bicyclic substituted hexahydrobenz[e]isoindole alpha1A adrenoceptor antagonists as potential agents for the symptomatic treatment of benign prostatic hyperplasia. J Med Chem 44:1971-85 (2001) [PubMed] Article
More Info.:
Target
Name:
Alpha-1B adrenergic receptor
Synonyms:
ADA1B_HUMAN | ADRA1B | Adrenergic alpha1B | Adrenergic receptor | Adrenergic receptor alpha | Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha-1B adrenergic receptor
Type:
Enzyme
Mol. Mass.:
56862.13
Organism:
Homo sapiens (Human)
Description:
P35368
Residue:
520
Sequence:
MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
Inhibitor
Name:
BDBM50100237
Synonyms:
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione | CHEMBL60721
Type:
Small organic molecule
Emp. Form.:
C22H25N3O3S
Mol. Mass.:
411.517
SMILES:
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)csc5c4=O)C[C@@H]3CCc12