Ki Summary

Reaction Details

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Target

C-X-C chemokine receptor type 3

Ligand

BDBM166530

Substrate/Competitor

n/a

Meas. Tech.

Competition Radioligand Binding Assay

IC50

52±n/a nM

Citation

Bata, I; Buzder-Lantos, P; Vasas, A; Bartane Bodor, V; Ferenczy, G; Tomoskozi, Z; Szeleczky, G; Batori, S; Smrcina, M; Patek, M; Weichsel, A; Thorpe, DS Cycloalkane carboxylic acid derivatives as CXCR3 receptor antagonists US Patent US9073853 Publication Date 7/7/2015

More Info.:

Get all data from this article, Assay Method

C-X-C chemokine receptor type 3

Name:

C-X-C chemokine receptor type 3

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

40665.65

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

368

Sequence:

MVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALY
SLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFG
SGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCL
LFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILA
VLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAK
SVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSET
SEASYSGL

BDBM166530

n/a

Name

BDBM166530

Synonyms:

US9073853, 89

Type

Small organic molecule

Emp. Form.

C31H38ClFN2O5

Mol. Mass.

573.095

SMILES

CCc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.49,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-9.85,-3.31,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;7.48,-2.54,;6.15,-3.31,;8.95,-3.01,;9.85,-1.77,;8.95,-.52,;9.35,.97,)|

Structure