Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 4
Ligand
BDBM50106929
Substrate
n/a
Meas. Tech.
ChEBML_39495
IC50
>1000±n/a nM
Citation
 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Discovery of human CCR5 antagonists containing hydantoins for the treatment of HIV-1 infection. Bioorg Med Chem Lett 11:3099-102 (2001) [PubMed]
Target
Name:
C-C chemokine receptor type 4
Synonyms:
C-C CKR-4 | C-C chemokine receptor type 4 | C-C chemokine receptor type 4 (CCR4) | CC-CKR-4 | CCR-4 | CCR4 | CCR4_HUMAN | CD_antigen=CD194 | CMKBR4 | K5-5
Type:
Enzyme
Mol. Mass.:
41406.41
Organism:
Homo sapiens (Human)
Description:
P51679
Residue:
360
Sequence:
MNPTDIADTTLDESIYSNYYLYESIPKPCTKEGIKAFGELFLPPLYSLVFVFGLLGNSVVVLVLFKYKRLRSMTDVYLLNLAISDLLFVFSLPFWGYYAADQWVFGLGLCKMISWMYLVGFYSGIFFVMLMSIDRYLAIVHAVFSLRARTLTYGVITSLATWSVAVFASLPGFLFSTCYTERNHTYCKTKYSLNSTTWKVLSSLEINILGLVIPLGIMLFCYSMIIRTLQHCKNEKKNKAVKMIFAVVVLFLGFWTPYNIVLFLETLVELEVLQDCTFERYLDYAIQATETLAFVHCCLNPIIYFFLGEKFRKYILQLFKTCRGLFVLCQYCGLLQIYSADTPSSSYTQSTMDHDLHDAL
  
Inhibitor
Name:
BDBM50106929
Synonyms:
Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-butyl}-piperidin-4-yl)-carbamic acid benzyl ester | CHEMBL107128
Type:
Small organic molecule
Emp. Form.:
C38H42ClN5O4
Mol. Mass.:
668.224
SMILES:
Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1
Structure:
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