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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'chemokine (C-X-C motif) receptor 3' and Ligand = 'BDBM50225732'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50225732
PNG
(1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en...)
Show SMILES CN(C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1)C(=O)Nc1cccc(c1)C(F)(F)F |t:7|
Show InChI InChI=1S/C24H32F3N3O/c1-23(2)17-8-7-16(21(23)14-17)15-30-11-9-20(10-12-30)29(3)22(31)28-19-6-4-5-18(13-19)24(25,26)27/h4-7,13,17,20-21H,8-12,14-15H2,1-3H3,(H,28,31)/t17-,21-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/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