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BDBM50359223 CHEMBL1923318

SMILES: CCN1C2=NC(C)(C)CN2c2c(nc(-c3ccc(nc3)-c3cccc(F)c3)n2Cc2ccc(F)c(F)c2)C1=O

InChI Key: InChIKey=KLCTZTASUPVJPJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359223   
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
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50359223
PNG
(CHEMBL1923318)
Show SMILES CCN1C2=NC(C)(C)CN2c2c(nc(-c3ccc(nc3)-c3cccc(F)c3)n2Cc2ccc(F)c(F)c2)C1=O |t:3|
Show InChI InChI=1S/C29H25F3N6O/c1-4-36-27(39)24-26(38-16-29(2,3)35-28(36)38)37(15-17-8-10-21(31)22(32)12-17)25(34-24)19-9-11-23(33-14-19)18-6-5-7-20(30)13-18/h5-14H,4,15-16H2,1-3H3
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL1-beta production treated 30 mins be...

Bioorg Med Chem Lett 21: 7287-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.037
BindingDB Entry DOI: 10.7270/Q2DV1K8Z
More data for this
Ligand-Target Pair