Ki Summary

Reaction Details

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Target

C-C chemokine receptor type 5

Ligand

BDBM50319441

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_634191 (CHEMBL1119773)

IC50

25±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

BDBM50319441

n/a

Name

BDBM50319441

Synonyms:

5-(4-((R)-3-((trans-4-ethoxycyclohexyl)methyl)-2-oxo-5-(pyridin-2-yl)imidazolidin-1-yl)-4'-methyl-1,4'-bipiperidine-1'-carbonyl)-4,6-dimethylpicolinonitrile | CHEMBL1085722

Type

Small organic molecule

Emp. Form.

C37H51N7O3

Mol. Mass.

641.8459

SMILES

CCO[C@H]1CC[C@H](CN2C[C@@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)cc(nc3C)C#N)C2=O)c2ccccn2)CC1 |r,wU:6.6,wD:10.42,3.2,(15.1,-8.75,;15.11,-7.21,;16.45,-6.45,;16.46,-4.91,;17.8,-4.14,;17.81,-2.6,;16.47,-1.82,;16.47,-.28,;17.81,.48,;17.74,2.02,;19.18,2.56,;20.14,1.36,;21.68,1.43,;22.39,2.8,;23.94,2.88,;24.77,1.57,;24.05,.2,;22.51,.13,;26.3,1.64,;25.52,2.98,;27.12,.34,;28.65,.4,;29.37,1.76,;28.55,3.06,;27.01,3,;30.91,1.82,;31.63,3.18,;31.73,.52,;33.27,.58,;33.98,1.95,;34.09,-.71,;33.37,-2.08,;31.83,-2.14,;31.01,-.84,;29.47,-.9,;34.2,-3.39,;35.02,-4.7,;19.29,.07,;19.83,-1.37,;19.96,3.89,;19.19,5.22,;19.96,6.55,;21.51,6.55,;22.28,5.21,;21.5,3.88,;15.13,-2.59,;15.12,-4.13,)|

Structure