Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50173399
Substrate
n/a
Meas. Tech.
ChEMBL_321534 (CHEMBL880594)
IC50
780±n/a nM
Citation
 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D Modulators of the human CCR5 receptor. Part 2: SAR of substituted 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides. Bioorg Med Chem Lett 15:5012-5 (2005) [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:
BDBM50173399
Synonyms:
CHEMBL199147 | N-(1-(3,3-bis(4-fluorophenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide | N-{1-[3,3-Bis-(4-fluoro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C31H36F2N2O3S
Mol. Mass.:
554.691
SMILES:
CCN(C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Structure:
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