Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50205780
Substrate
n/a
Meas. Tech.
ChEMBL_447183 (CHEMBL897483)
IC50
170±n/a nM
Citation
 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B CCR5 receptor antagonists: discovery and SAR of novel 4-hydroxypiperidine derivatives. Bioorg Med Chem Lett 17:1883-7 (2007) [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:
BDBM50205780
Synonyms:
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(4-bromo-2,6-dimethylphenyl)urea | CHEMBL393002
Type:
Small organic molecule
Emp. Form.:
C29H32Br2ClN3O3
Mol. Mass.:
665.844
SMILES:
Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Structure:
Search PDB for entries with ligand similarity: