Reaction Details Report a problem with these data
Target
B2 bradykinin receptor
Ligand
BDBM50146111
Substrate
n/a
Meas. Tech.
ChEMBL_40293 (CHEMBL653425)
IC50
0.47±n/a nM
Citation
 Sawada, Y; Kayakiri, H; Abe, Y; Mizutani, T; Inamura, N; Asano, M; Aramori, I; Hatori, C; Oku, T; Tanaka, H A new class of nonpeptide bradykinin B(2) receptor ligand, incorporating a 4-aminoquinoline framework. Identification of a key pharmacophore to determine species difference and agonist/antagonist profile. J Med Chem 47:2667-77 (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:
BDBM50146111
Synonyms:
CHEMBL542173 | N-(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-phenyl)-isonicotinamide; Trihydrochloride
Type:
Small organic molecule
Emp. Form.:
C37H34Cl2N6O4
Mol. Mass.:
697.61
SMILES:
CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(=O)c5ccncc5)cc4)c3Cl)cccc12
Structure:
Search PDB for entries with ligand similarity: