Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50205772
Substrate
n/a
Meas. Tech.
ChEMBL_447183 (CHEMBL897483)
IC50
320±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
More Info.:
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:
BDBM50205772
Synonyms:
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-difluorophenyl)urea | CHEMBL236421
Type:
Small organic molecule
Emp. Form.:
C27H27BrClF2N3O3
Mol. Mass.:
594.875
SMILES:
OC1(CNC(=O)Nc2c(F)cccc2F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1