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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 602.6
BDBM50371483

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))
BDBM50371483
PNG
(CHEMBL272290)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C34H30F4N4O2/c1-3-44-28-14-12-27(13-15-28)42-22-31(26-9-5-4-6-10-26)40-33(42)23(2)41(21-25-8-7-17-39-20-25)32(43)19-24-11-16-30(35)29(18-24)34(36,37)38/h4-18,20,22-23H,3,19,21H2,1-2H3/t23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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))
BDBM50371483
PNG
(CHEMBL272290)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C34H30F4N4O2/c1-3-44-28-14-12-27(13-15-28)42-22-31(26-9-5-4-6-10-26)40-33(42)23(2)41(21-25-8-7-17-39-20-25)32(43)19-24-11-16-30(35)29(18-24)34(36,37)38/h4-18,20,22-23H,3,19,21H2,1-2H3/t23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 91n/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