Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50313880
Substrate
n/a
Meas. Tech.
ChEMBL_615454 (CHEMBL1107772)
IC50
15±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:
BDBM50313880
Synonyms:
5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)octahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile | CHEMBL1077359
Type:
Small organic molecule
Emp. Form.:
C34H49N5O4
Mol. Mass.:
591.784
SMILES:
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N |r|
Structure:
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