Reaction Details Report a problem with these data
Target
B2 bradykinin receptor
Ligand
BDBM50142948
Substrate
n/a
Meas. Tech.
ChEMBL_40272 (CHEMBL656507)
IC50
3.1±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:
BDBM50142948
Synonyms:
4-{(E)-2-[({[2,4-Dimethyl-3-(2-methyl-4-phenyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride | CHEMBL544720
Type:
Small organic molecule
Emp. Form.:
C39H38N4O4
Mol. Mass.:
626.7434
SMILES:
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c(cc(C)nc34)-c3ccccc3)c2C)cc1
Structure:
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