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Target
B2 bradykinin receptor
Ligand
BDBM50146117
Substrate
n/a
Meas. Tech.
ChEMBL_40273 (CHEMBL656508)
IC50
40±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:
BDBM50146117
Synonyms:
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-1-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-pyridin-2-ylmethyl-benzamide; Trihydrochloride | CHEMBL553897
Type:
Small organic molecule
Emp. Form.:
C41H40Cl2N6O4
Mol. Mass.:
751.7
SMILES:
CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)NCc1ccccn1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Structure:
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