Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50157025
Substrate
n/a
Meas. Tech.
ChEMBL_306744 (CHEMBL830074)
IC50
350±n/a nM
Citation
 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. Bioorg Med Chem Lett 15:25-8 (2004) [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:
BDBM50157025
Synonyms:
CHEMBL182083 | N-Allyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-trifluoromethoxy-phenyl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C32H35F3N2O2
Mol. Mass.:
536.6277
SMILES:
FC(F)(F)Oc1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: