Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50082790
Substrate
n/a
Meas. Tech.
ChEMBL_34030 (CHEMBL646169)
Ki
0.58±n/a nM
Citation
Nagarathnam, D; Miao, SW; Lagu, B; Chiu, G; Fang, J; Murali Dhar, TG; Zhang, J; Tyagarajan, S; Marzabadi, MR; Zhang, F; Wong, WC; Sun, W; Tian, D; Wetzel, JM; Forray, C; Chang, RS; Broten, TP; Ransom, RW; Schorn, TW; Chen, TB; O'Malley, S; Kling, P; Schneck, K; Bendesky, R; Harrell, CM Design and synthesis of novel alpha(1)(a) adrenoceptor-selective antagonists. 1. Structure-activity relationship in dihydropyrimidinones. J Med Chem 42:4764-77 (1999) [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:
BDBM50082790
Synonyms:
1-(3-{[5-Carbamoyl-4-ethyl-6-(4-nitro-phenyl)-2-oxo-3,6-dihydro-2H-pyrimidine-1-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester | CHEMBL358595
Type:
Small organic molecule
Emp. Form.:
C30H36N6O7
Mol. Mass.:
592.6428
SMILES:
CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O |t:2|