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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 416.4
BDBM50413567

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))
BDBM50413567
PNG
(CHEMBL511976)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1 |r,THB:10:8:5.4:1|
Show InChI InChI=1S/C22H29F5N2/c1-21(2)12-4-7-22(21,3)15(10-12)28-13-5-8-29(9-6-13)11-14-16(23)18(25)20(27)19(26)17(14)24/h12-13,15,28H,4-11H2,1-3H3/t12-,15-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50413567
PNG
(CHEMBL511976)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1 |r,THB:10:8:5.4:1|
Show InChI InChI=1S/C22H29F5N2/c1-21(2)12-4-7-22(21,3)15(10-12)28-13-5-8-29(9-6-13)11-14-16(23)18(25)20(27)19(26)17(14)24/h12-13,15,28H,4-11H2,1-3H3/t12-,15-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in HEK293T cells coexpressing Galphaqi5 assessed as inhibition of CXCL10-induced [3H]inositol phosphate ...


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