Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50313878
Substrate
n/a
Meas. Tech.
ChEMBL_615454 (CHEMBL1107772)
IC50
45±n/a nM
Citation
 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Evaluation of a 4-aminopiperidine replacement in several series of CCR5 antagonists. Bioorg Med Chem Lett 20:1830-3 (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:
BDBM50313878
Synonyms:
5-((3aR,6aS)-5-((S)-4-((1S,2S)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)octahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile | CHEMBL1077355
Type:
Small organic molecule
Emp. Form.:
C33H40F3N5O2
Mol. Mass.:
595.6982
SMILES:
CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)C(F)(F)F |r|
Structure:
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