Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50355901
Substrate
n/a
Meas. Tech.
ChEMBL_775893 (CHEMBL1912866)
IC50
1000±n/a nM
Citation
 Bhalay, G; Albrecht, B; Akhlaq, M; Baettig, U; Beer, D; Brown, Z; Charlton, S; Dunstan, A; Bradley, M; Gedeck, P; Glen, A; Howe, T; Keller, T; Leighton-Davies, J; Li, A; McCarthy, C; Mocquet, C; Owen, C; Nicklin, P; Rosethorne, E Design and synthesis of a library of chemokine antagonists. Bioorg Med Chem Lett 21:6249-52 (2011) [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:
BDBM50355901
Synonyms:
CHEMBL1910166
Type:
Small organic molecule
Emp. Form.:
C24H28FN3O2
Mol. Mass.:
409.4964
SMILES:
Fc1ccc(COCC2CCN(CCCNC(=O)c3cccc(c3)C#N)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: