Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor
Ligand
BDBM67197
Substrate
n/a
Meas. Tech.
Dose Response screen for antagonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule antagonists hits of the APJ receptor
IC50
13296±2737 nM
Citation
 PubChem, PC Dose Response screen for antagonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule antagonists hits of the APJ receptor PubChem Bioassay (2010)[AID] 
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:
BDBM67197
Synonyms:
1,1-dibutyl-3-[[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]thiourea | 1,1-dibutyl-3-[[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]thiourea | 1,1-dibutyl-3-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]thiourea | 1,1-dibutyl-3-[[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]thiourea | 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde N,N-dibutylthiosemicarbazone | MLS000579623 | SMR000186810 | cid_11958865
Type:
Small organic molecule
Emp. Form.:
C20H29N5OS
Mol. Mass.:
387.542
SMILES:
CCCCN(CCCC)C(=S)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:12.11|
Structure:
Search PDB for entries with ligand similarity: