Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50185669
Substrate
n/a
Meas. Tech.
ChEMBL_372909 (CHEMBL865374)
IC50
25±n/a nM
Citation
Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D Modulators of the human CCR5 receptor. Part 3: SAR of substituted 1-[3-(4-methanesulfonylphenyl)-3-phenylpropyl]-piperidinyl phenylacetamides. Bioorg Med Chem Lett 16:3533-6 (2006) [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:
BDBM50185669
Synonyms:
(R)-N-ethyl-N-(1-(3-(3-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide | CHEMBL212408
Type:
Small organic molecule
Emp. Form.:
C33H42N2O6S2
Mol. Mass.:
626.826
SMILES:
CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(OC)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O