Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50141933
Substrate
n/a
Meas. Tech.
ChEBML_44691
IC50
0.600000±n/a nM
Citation
 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Bioorg Med Chem Lett 14:947-52 (2004) [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:
BDBM50141933
Synonyms:
(2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Difluoromethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid | CHEMBL367560
Type:
Small organic molecule
Emp. Form.:
C35H45F3N4O3
Mol. Mass.:
626.752
SMILES:
CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
Structure:
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