Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50319447
Substrate
n/a
Meas. Tech.
ChEMBL_634191 (CHEMBL1119773)
IC50
12±n/a nM
Citation
 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett 20:3219-22 (2010) [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:
BDBM50319447
Synonyms:
(R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-((tetrahydro-2H-pyran-4-yl)methyl)imidazolidin-1-yl)-1,4'-bipiperidine-1'-carbonyl)picolinonitrile | CHEMBL1085225
Type:
Small organic molecule
Emp. Form.:
C35H46N6O3
Mol. Mass.:
598.7781
SMILES:
Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1)C#N |r|
Structure:
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