Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50305777
Substrate
n/a
Meas. Tech.
ChEMBL_604791 (CHEMBL1072585)
IC50
59±n/a nM
Citation
 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett 20:704-8 (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:
BDBM50305777
Synonyms:
1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)-2,2-dimethylpropan-1-one | CHEMBL595760
Type:
Small organic molecule
Emp. Form.:
C31H42FN5O2
Mol. Mass.:
535.6959
SMILES:
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1 |r|
Structure:
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