Ki Summary

Reaction Details

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Target

C-X-C chemokine receptor type 3

Ligand

BDBM166572

Substrate/Competitor

n/a

Meas. Tech.

Competition Radioligand Binding Assay

IC50

6500±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

BDBM166572

n/a

Name

BDBM166572

Synonyms:

US9073853, 131

Type

Small organic molecule

Emp. Form.

C28H33ClN2O5

Mol. Mass.

513.025

SMILES

C[C@H](N(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@H]1C[C@H](C1)C(O)=O)c1ccc(Cl)c(C)c1 |r,wU:21.22,1.0,23.27,(-4.52,-4.17,;-4.52,-2.63,;-3.19,-1.86,;-1.85,-2.63,;-.52,-1.86,;-.52,-.32,;.82,.45,;2.15,-.32,;3.48,.45,;4.82,-.32,;6.15,.45,;7.48,-.32,;7.48,-1.86,;6.15,-2.63,;8.95,-2.33,;9.85,-1.09,;8.95,.16,;9.35,1.64,;2.15,-1.86,;3.48,-2.63,;.82,-2.63,;-3.19,-.32,;-4.27,.77,;-3.19,1.86,;-2.1,.77,;-3.19,3.4,;-4.52,4.17,;-1.85,4.17,;-5.85,-1.86,;-5.85,-.32,;-7.19,.45,;-8.52,-.32,;-9.85,.45,;-8.52,-1.86,;-9.85,-2.63,;-7.19,-2.63,)|

Structure