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BDBM50432458 CHEMBL2349187

SMILES: CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(C)(C)O

InChI Key: InChIKey=GGCGTVNPAQRGER-CQSZACIVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50432458   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-X3-C chemokine receptor 1


(Homo sapiens (Human))		BDBM50432458
PNG
(CHEMBL2349187)
Show SMILES CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(C)(C)O |r|
Show InChI InChI=1S/C20H27N5OS2/c1-12(2)10-14(20(3,4)26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11-13-8-6-5-7-9-13/h5-9,12,14,26H,10-11H2,1-4H3,(H3,21,22,23,24,25)/t14-/m1/s1
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Similars
Article
PubMed
 1.20E+3n/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