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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 460.5
BDBM50412559

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

Found 2 hits 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))
BDBM50412559
PNG
(CHEMBL464083)
Show SMILES C[C@H]1CN(CCN1c1ncc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:27:26:22.23:28|
Show InChI InChI=1S/C20H27F3N4O3S/c1-13-11-26(6-7-27(13)17-24-9-15(10-25-17)20(21,22)23)31(29,30)12-19-5-4-14(8-16(19)28)18(19,2)3/h9-10,13-14H,4-8,11-12H2,1-3H3/t13-,14+,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/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
C-X-C chemokine receptor type 3


(Mus musculus)
BDBM50412559
PNG
(CHEMBL464083)
Show SMILES C[C@H]1CN(CCN1c1ncc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:27:26:22.23:28|
Show InChI InChI=1S/C20H27F3N4O3S/c1-13-11-26(6-7-27(13)17-24-9-15(10-25-17)20(21,22)23)31(29,30)12-19-5-4-14(8-16(19)28)18(19,2)3/h9-10,13-14H,4-8,11-12H2,1-3H3/t13-,14+,19+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells


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