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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.6
BDBM50167786

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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))
BDBM50167786
PNG
(CHEMBL371154 | Decanoic acid (2-dimethylamino-ethy...)
Show SMILES CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C30H42N4O3/c1-5-6-7-8-9-10-11-16-28(36)33(22-21-32(3)4)23(2)29-31-27-15-13-12-14-26(27)30(37)34(29)24-17-19-25(35)20-18-24/h12-15,17-20,23,35H,5-11,16,21-22H2,1-4H3
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibitory concentration against CX3C chemokine receptor 3 expressed in human HEK-293 cells using [125I]-CXCL10 as radioligand


Bioorg Med Chem Lett 15: 2910-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.070
BindingDB Entry DOI: 10.7270/Q21V5DH4
More data for this
Ligand-Target Pair