Ki Summary

Reaction Details

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Target

C-C chemokine receptor type 5

Ligand

BDBM50319448

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_634191 (CHEMBL1119773)

IC50

20±n/a nM

Citation

Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett20:3219-22 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

C-C chemokine receptor type 5

Name:

C-C chemokine receptor type 5

Synonyms:

Type:

Enzyme

Mol. Mass.:

40540.21

Organism:

Homo sapiens (Human)

Description:

P51681

Residue:

352

Sequence:

MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL

BDBM50319448

n/a

Name

BDBM50319448

Synonyms:

(R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-((trans-4-hydroxycyclohexyl)methyl)-4-phenylimidazolidin-2-one | CHEMBL1085224

Type

Small organic molecule

Emp. Form.

C34H48N6O3

Mol. Mass.

588.7833

SMILES

Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C[C@H]2CC[C@H](O)CC2)C1=O)c1ccccc1 |r,wU:24.41,28.30,wD:31.34,(8.99,-8.35,;8.27,-9.72,;9.1,-11.01,;8.38,-12.38,;6.84,-12.44,;6.02,-11.14,;4.48,-11.2,;6.74,-9.78,;5.92,-8.48,;6.64,-7.12,;4.38,-8.54,;3.66,-9.9,;2.13,-9.96,;1.31,-8.66,;.52,-7.32,;2.01,-7.3,;3.56,-7.24,;-.23,-8.73,;-1.06,-7.42,;-2.6,-7.5,;-3.31,-8.87,;-2.49,-10.17,;-.94,-10.1,;-4.85,-8.94,;-5.81,-7.74,;-7.25,-8.28,;-7.19,-9.82,;-8.52,-10.58,;-8.53,-12.12,;-7.2,-12.89,;-7.21,-14.44,;-8.56,-15.2,;-8.57,-16.74,;-9.88,-14.41,;-9.87,-12.88,;-5.7,-10.23,;-5.16,-11.67,;-5.04,-6.41,;-3.49,-6.42,;-2.72,-5.09,;-3.48,-3.75,;-5.03,-3.75,;-5.8,-5.08,)|

Structure