BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 602.6
BDBM50371486

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))
BDBM50371486
PNG
(CHEMBL403254)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(C=C)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N4O3S/c1-4-26-28(22-9-10-22)36-29(38(26)23-11-6-20(18-35)7-12-23)19(3)37(14-15-42(40,41)5-2)27(39)17-21-8-13-25(31)24(16-21)30(32,33)34/h4,6-8,11-13,16,19,22H,1,5,9-10,14-15,17H2,2-3H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/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))
BDBM50371486
PNG
(CHEMBL403254)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(C=C)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N4O3S/c1-4-26-28(22-9-10-22)36-29(38(26)23-11-6-20(18-35)7-12-23)19(3)37(14-15-42(40,41)5-2)27(39)17-21-8-13-25(31)24(16-21)30(32,33)34/h4,6-8,11-13,16,19,22H,1,5,9-10,14-15,17H2,2-3H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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