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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50412584'   
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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50412584
PNG
(CHEMBL464923)
Show SMILES CC1CN(CCN1S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccc(cn1)C(F)(F)F |r,TLB:17:16:12.13:18|
Show InChI InChI=1S/C21H28F3N3O3S/c1-14-12-26(18-5-4-16(11-25-18)21(22,23)24)8-9-27(14)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14?,15-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 19: 114-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.008
BindingDB Entry DOI: 10.7270/Q29Z94R0
More data for this
Ligand-Target Pair