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BDBM50432444 CHEMBL2349337

SMILES: Nc1nc2nc(SCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)c2s1

InChI Key: InChIKey=TZWVRQVXJIDRAG-HNNXBMFYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50432444   
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))		BDBM50432444
PNG
(CHEMBL2349337)
Show SMILES Nc1nc2nc(SCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)c2s1 |r|
Show InChI InChI=1S/C20H19N5OS2/c21-19-23-18-16(28-19)17(22-15(11-26)14-9-5-2-6-10-14)24-20(25-18)27-12-13-7-3-1-4-8-13/h1-10,15,26H,11-12H2,(H3,21,22,23,24,25)/t15-/m0/s1
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Similars
Article
PubMed
 220n/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