Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50088318
Substrate
n/a
Meas. Tech.
ChEMBL_39630 (CHEMBL649937)
IC50
570.0±n/a nM
Citation
 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Discovery of novel, potent, and selective small-molecule CCR5 antagonists as anti-HIV-1 agents: synthesis and biological evaluation of anilide derivatives with a quaternary ammonium moiety. J Med Chem 43:2049-63 (2000) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor
Type:
Enzyme
Mol. Mass.:
40540.21
Organism:
Homo sapiens (Human)
Description:
P51681
Residue:
352
Sequence:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
  
Inhibitor
Name:
BDBM50088318
Synonyms:
1-Methyl-1-{4-[3-(4'-methyl-biphenyl-3-yl)-acryloylamino]-benzyl}-piperidinium; iodide | CHEMBL65696
Type:
Small organic molecule
Emp. Form.:
C29H33N2O
Mol. Mass.:
425.5846
SMILES:
Cc1ccc(cc1)-c1cccc(\C=C\C(=O)Nc2ccc(C[N+]3(C)CCCCC3)cc2)c1
Structure:
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