Reaction Details Report a problem with these data
Target
Alpha-1B adrenergic receptor
Ligand
BDBM86849
Substrate
n/a
Ki
69±n/a nM
Comments
PDSP_8531
Citation
 Chiu, G; Li, S; Connolly, PJ; Pulito, V; Liu, J; Middleton, SA (Phenylpiperazinyl)cyclohexylureas: discovery of alpha1a/1d-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS). Bioorg Med Chem Lett 18:640-4 (2008) [PubMed]  Article 
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:
BDBM86849
Synonyms:
1-(3-fluorobenzyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea | CAS_16041091 | NSC_16041091
Type:
Small organic molecule
Emp. Form.:
C27H37FN4O2
Mol. Mass.:
468.6067
SMILES:
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)NCc1cccc(F)c1 |(5.33,-12.32,;5.33,-13.86,;6.67,-14.63,;4,-14.63,;4,-16.17,;5.33,-16.94,;5.33,-18.48,;4,-19.25,;2.67,-18.48,;2.67,-16.94,;1.33,-16.17,;,-16.94,;-1.33,-16.17,;-1.33,-14.63,;,-13.86,;1.33,-14.63,;-2.67,-13.86,;-4,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-4,-11.55,;-2.67,-12.32,;-6.67,-11.55,;-8,-12.32,;-8,-13.86,;-9.34,-11.55,;-10.67,-12.32,;-12,-11.55,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-14.67,-11.55,;-16,-12.32,;-13.34,-12.32,)|
Structure:
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