BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 601.6
BDBM50371503

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))
BDBM50371503
PNG
(CHEMBL404464)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(C#N)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O3S/c1-3-42(40,41)13-12-37(26(39)15-20-6-11-24(30)23(14-20)29(31,32)33)18(2)28-36-27(21-7-8-21)25(17-35)38(28)22-9-4-19(16-34)5-10-22/h4-6,9-11,14,18,21H,3,7-8,12-13,15H2,1-2H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/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))
BDBM50371503
PNG
(CHEMBL404464)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(C#N)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O3S/c1-3-42(40,41)13-12-37(26(39)15-20-6-11-24(30)23(14-20)29(31,32)33)18(2)28-36-27(21-7-8-21)25(17-35)38(28)22-9-4-19(16-34)5-10-22/h4-6,9-11,14,18,21H,3,7-8,12-13,15H2,1-2H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 276n/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