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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 612.7
BDBM50371515

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))
BDBM50371515
PNG
(CHEMBL271250)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1cc(nn1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H36N6O4S/c1-4-43-29-18-16-28(17-19-29)39-23-30(26-12-8-6-9-13-26)34-33(39)25(3)38(20-21-44(41,42)5-2)32(40)24-37-22-31(35-36-37)27-14-10-7-11-15-27/h6-19,22-23,25H,4-5,20-21,24H2,1-3H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50371515
PNG
(CHEMBL271250)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1cc(nn1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H36N6O4S/c1-4-43-29-18-16-28(17-19-29)39-23-30(26-12-8-6-9-13-26)34-33(39)25(3)38(20-21-44(41,42)5-2)32(40)24-37-22-31(35-36-37)27-14-10-7-11-15-27/h6-19,22-23,25H,4-5,20-21,24H2,1-3H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC in presence of plasma


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair