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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 644.6
BDBM50371504

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))
BDBM50371504
PNG
(CHEMBL403194)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(n1-c1ccc(cc1)C#N)C(F)(F)F)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F7N4O3S/c1-3-44(42,43)13-12-39(24(41)15-19-6-11-23(30)22(14-19)28(31,32)33)17(2)27-38-25(20-7-8-20)26(29(34,35)36)40(27)21-9-4-18(16-37)5-10-21/h4-6,9-11,14,17,20H,3,7-8,12-13,15H2,1-2H3/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/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))
BDBM50371504
PNG
(CHEMBL403194)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(n1-c1ccc(cc1)C#N)C(F)(F)F)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F7N4O3S/c1-3-44(42,43)13-12-39(24(41)15-19-6-11-23(30)22(14-19)28(31,32)33)17(2)27-38-25(20-7-8-20)26(29(34,35)36)40(27)21-9-4-18(16-37)5-10-21/h4-6,9-11,14,17,20H,3,7-8,12-13,15H2,1-2H3/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/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