Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50359493
Substrate
n/a
Meas. Tech.
ChEMBL_792600 (CHEMBL1930241)
IC50
12±n/a nM
Citation
 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Design and synthesis of pyridin-2-ylmethylaminopiperidin-1-ylbutyl amide CCR5 antagonists that are potent inhibitors of M-tropic (R5) HIV-1 replication. Bioorg Med Chem Lett 21:6950-4 (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:
BDBM50359493
Synonyms:
CHEMBL1926887
Type:
Small organic molecule
Emp. Form.:
C30H30Cl2N6O
Mol. Mass.:
561.505
SMILES:
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(cc1)C#N
Structure:
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