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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 = 'BDBM50227868'   
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))
BDBM50227868
PNG
(1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-((1-pivalo...)
Show SMILES CC(C)(C)C(=O)N1CCC(CN2CCC(CC2)NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C25H34F6N4O2/c1-23(2,3)21(36)35-10-4-16(5-11-35)15-34-8-6-19(7-9-34)32-22(37)33-20-13-17(24(26,27)28)12-18(14-20)25(29,30)31/h12-14,16,19H,4-11,15H2,1-3H3,(H2,32,33,37)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
60n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 147-51 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.109
BindingDB Entry DOI: 10.7270/Q2MC8ZRG
More data for this
Ligand-Target Pair