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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 374.5
BDBM50413590

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50413590
PNG
(CHEMBL496896)
Show SMILES COc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)c(F)c1 |r,TLB:13:14:18.17:21|
Show InChI InChI=1S/C23H35FN2O/c1-22(2)17-7-10-23(22,3)21(13-17)25-18-8-11-26(12-9-18)15-16-5-6-19(27-4)14-20(16)24/h5-6,14,17-18,21,25H,7-13,15H2,1-4H3/t17-,21-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in HEK293T cells


Bioorg Med Chem Lett 19: 2252-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.093
BindingDB Entry DOI: 10.7270/Q2DJ5GW6
More data for this
Ligand-Target Pair