Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor
Ligand
BDBM50393933
Substrate
n/a
Meas. Tech.
ChEMBL_855885 (CHEMBL2161529)
IC50
>79000±n/a nM
Citation
 Maloney, PR; Khan, P; Hedrick, M; Gosalia, P; Milewski, M; Li, L; Roth, GP; Sergienko, E; Suyama, E; Sugarman, E; Nguyen, K; Mehta, A; Vasile, S; Su, Y; Stonich, D; Nguyen, H; Zeng, FY; Novo, AM; Vicchiarelli, M; Diwan, J; Chung, TD; Smith, LH; Pinkerton, AB Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor. Bioorg Med Chem Lett 22:6656-60 (2012) [PubMed]  Article 
Target
Name:
Type-1 angiotensin II receptor
Synonyms:
AGTR1 | AGTR1A | AGTR1B | AGTR1_HUMAN | AT1 | AT1AR | AT1BR | AT2R1 | AT2R1B | Angiotensin II AT1 | Angiotensin II receptor | Angiotensin II type 1b (AT-1b) receptor | Type-1 angiotensin II receptor (AT1)
Type:
Protein
Mol. Mass.:
41080.75
Organism:
Homo sapiens (Human)
Description:
P30556
Residue:
359
Sequence:
MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
  
Inhibitor
Name:
BDBM50393933
Synonyms:
CHEMBL2158341
Type:
Small organic molecule
Emp. Form.:
C15H11N3O5S
Mol. Mass.:
345.33
SMILES:
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cnco3)co2)n1
Structure:
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