Reaction Details Report a problem with these data
Target
B2 bradykinin receptor
Ligand
BDBM50142953
Substrate
n/a
Meas. Tech.
ChEMBL_40272 (CHEMBL656507)
IC50
6±n/a nM
Citation
 Sawada, Y; Kayakiri, H; Abe, Y; Imai, K; Mizutani, T; Inamura, N; Asano, M; Aramori, I; Hatori, C; Katayama, A; Oku, T; Tanaka, H A new series of highly potent non-peptide bradykinin B2 receptor antagonists incorporating the 4-heteroarylquinoline framework. Improvement of aqueous solubility and new insights into species difference. J Med Chem 47:1617-30 (2004) [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:
BDBM50142953
Synonyms:
4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-methyl-quinolin-8-yloxymethyl)-phenyl]-1H-pyrrol-2-ylmethyl}-carbamoyl)-vinyl]-N-pyridin-2-ylmethyl-benzamide; trihydrochloride | CHEMBL543068
Type:
Small organic molecule
Emp. Form.:
C41H33Cl2N7O3
Mol. Mass.:
742.652
SMILES:
Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(c3Cl)-n3cccc3CNC(=O)\C=C\c3ccc(cc3)C(=O)NCc3ccccn3)c2n1
Structure:
Search PDB for entries with ligand similarity: