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BDBM50225718 1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)imidazolidine-2,4-dione::CHEMBL249178

SMILES: CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)n1cc(O)n(-c3cc(F)cc(c3)C(F)(F)F)c1=O)=CC2

InChI Key: InChIKey=CHTCSRZNXRKDIP-KKSFZXQISA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225718   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50225718
PNG
(1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en...)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)n1cc(O)n(-c3cc(F)cc(c3)C(F)(F)F)c1=O)=CC2 |c:35|
Show InChI InChI=1S/C25H29F4N3O2/c1-24(2)16-4-3-15(21(24)11-16)13-30-7-5-19(6-8-30)31-14-22(33)32(23(31)34)20-10-17(25(27,28)29)9-18(26)12-20/h3,9-10,12,14,16,19,21,33H,4-8,11,13H2,1-2H3/t16-,21-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor expressed in CHO membrane by ITAC-stimulated GTP gammaS assay


Bioorg Med Chem Lett 17: 6806-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.029
BindingDB Entry DOI: 10.7270/Q24F1QGP
More data for this
Ligand-Target Pair