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BDBM50225719 1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(3-(methylthio)phenyl)imidazolidine-2,4-dione::CHEMBL400337

SMILES: CSc1cccc(c1)-n1c(O)cn(C2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1=O

InChI Key: InChIKey=LLJNBXZHFWCRSX-AVRDEDQJSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225719   
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))
BDBM50225719
PNG
(1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en...)
Show SMILES CSc1cccc(c1)-n1c(O)cn(C2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1=O |t:19|
Show InChI InChI=1S/C25H33N3O2S/c1-25(2)18-8-7-17(22(25)13-18)15-26-11-9-19(10-12-26)27-16-23(29)28(24(27)30)20-5-4-6-21(14-20)31-3/h4-7,14,16,18-19,22,29H,8-13,15H2,1-3H3/t18-,22-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
750n/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