Reaction Details Report a problem with these data
Target
Alpha-1B adrenergic receptor
Ligand
BDBM50082804
Substrate
n/a
Meas. Tech.
ChEMBL_34458 (CHEMBL651990)
Ki
1480±n/a nM
Citation
Murali Dhar, TG; Nagarathnam, D; Marzabadi, MR; Lagu, B; Wong, WC; Chiu, G; Tyagarajan, S; Miao, SW; Zhang, F; Sun, W; Tian, D; Shen, Q; Zhang, J; Wetzel, JM; Forray, C; Chang, RS; Broten, TP; Schorn, TW; Chen, TB; O'Malley, S; Ransom, R; Schneck, K; Bendesky, R; Harrell, CM; Vyas, KP Design and synthesis of novel alpha(1)(a) adrenoceptor-selective antagonists. 2. Approaches to eliminate opioid agonist metabolites via modification of linker and 4-methoxycarbonyl-4-phenylpiperidine moiety. J Med Chem 42:4778-93 (1999) [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:
BDBM50082804
Synonyms:
1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-2H-pyrimidine-1-carbonyl]-amino}-1-methyl-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester | CHEMBL358590
Type:
Small organic molecule
Emp. Form.:
C31H37F2N5O5
Mol. Mass.:
597.6528
SMILES:
CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|