Reaction Details Report a problem with these data
Target
Alpha-1B adrenergic receptor
Ligand
BDBM69602
Substrate
n/a
Meas. Tech.
ChEMBL_936572 (CHEMBL2318735)
Ki
10±n/a nM
Citation
Bonifazi, A; Piergentili, A; Del Bello, F; Farande, Y; Giannella, M; Pigini, M; Amantini, C; Nabissi, M; Farfariello, V; Santoni, G; Poggesi, E; Leonardi, A; Menegon, S; Quaglia, W Structure-activity relationships in 1,4-benzodioxan-related compounds. 11. (1) reversed enantioselectivity of 1,4-dioxane derivatives ina1-adrenergic and 5-HT1A receptor binding sites recognition. J Med Chem 56:584-8 (2013) [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:
BDBM69602
Synonyms:
2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dimethoxyphenoxy)ethyl]amine;hydrochloride | CHEMBL25554 | MLS000859914 | N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride | SMR000326775 | WB-4101 | WB-4101 hydrochloride | cid_11957505
Type:
Small organic molecule
Emp. Form.:
C19H23NO5
Mol. Mass.:
345.3896
SMILES:
COc1cccc(OC)c1OCCNCC1COc2ccccc2O1