Reaction Details Report a problem with these data
Target
B2 bradykinin receptor
Ligand
BDBM50067279
Substrate
n/a
Meas. Tech.
ChEMBL_40289 (CHEMBL653421)
IC50
3.1±n/a nM
Citation
 Abe, Y; Kayakiri, H; Satoh, S; Inoue, T; Sawada, Y; Inamura, N; Asano, M; Aramori, I; Hatori, C; Sawai, H; Oku, T; Tanaka, H A novel class of orally active non-peptide bradykinin B2 receptor antagonists. 3. Discovering bioisosteres of the imidazo[1,2-a] pyridine moiety. J Med Chem 41:4062-79 (1998) [PubMed]  Article 
Target
Name:
B2 bradykinin receptor
Synonyms:
B2 BRADYKININ | B2 bradykinin receptor | B2R | BDKRB2 | BK-2 receptor | BKR2 | BKRB2_HUMAN | Bradykinin B2 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44467.17
Organism:
Homo sapiens (Human)
Description:
B2 BRADYKININ BDKRB2 HUMAN::P30411
Residue:
391
Sequence:
MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
  
Inhibitor
Name:
BDBM50067279
Synonyms:
4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride | CHEMBL554206
Type:
Small organic molecule
Emp. Form.:
C30H27Cl2N5O4
Mol. Mass.:
592.472
SMILES:
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Structure:
Search PDB for entries with ligand similarity: