Reaction Details Report a problem with these data
Target
B2 bradykinin receptor
Ligand
BDBM50142942
Substrate
n/a
Meas. Tech.
ChEMBL_40292 (CHEMBL653424)
IC50
0.42±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
More Info.:
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:
Human
Description:
B2 BRADYKININ BDKRB2 HUMAN::P30411
Residue:
391
Sequence:
MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
Inhibitor
Name:
BDBM50142942
Synonyms:
4-{(E)-2-[({[2,4-Dichloro-3-(4-imidazol-1-yl-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-pyridin-4-yl-benzamide; trihydrochloride | CHEMBL544480
Type:
Small organic molecule
Emp. Form.:
C38H31Cl2N7O4
Mol. Mass.:
720.603
SMILES:
CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)-n2ccnc2)c1Cl