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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CX3C chemokine receptor 1' and Ligand = 'BDBM50432459'   
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
CX3C chemokine receptor 1


(Homo sapiens (Human))
BDBM50432459
PNG
(CHEMBL2349186)
Show SMILES CC(C)C[C@H](CO)Nc1nc(OCc2ccccc2)[nH]c2nc(=O)sc12 |r|
Show InChI InChI=1S/C18H22N4O3S/c1-11(2)8-13(9-23)19-15-14-16(22-18(24)26-14)21-17(20-15)25-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H2,19,20,21,22,24)/t13-/m1/s1
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Article
PubMed
44n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair