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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 = 'BDBM50225726'   
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))
BDBM50225726
PNG
(4-bromo-N-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]h...)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)Nc1nc3c(Br)cccc3s1)=CC2 |c:28|
Show InChI InChI=1S/C22H28BrN3S/c1-22(2)15-7-6-14(17(22)12-15)13-26-10-8-16(9-11-26)24-21-25-20-18(23)4-3-5-19(20)27-21/h3-6,15-17H,7-13H2,1-2H3,(H,24,25)/t15-,17-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/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