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BDBM50318016 2-chloro-5-(5-fluoropyrimidin-2-yl)-N-((1-hydroxycyclohexyl)methyl)benzamide::CHEMBL1097762

SMILES: OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCCC1

InChI Key: InChIKey=NPKWTUPLJQXKEA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50318016   
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))
BDBM50318016
PNG
(2-chloro-5-(5-fluoropyrimidin-2-yl)-N-((1-hydroxyc...)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCCC1
Show InChI InChI=1S/C18H19ClFN3O2/c19-15-5-4-12(16-21-9-13(20)10-22-16)8-14(15)17(24)23-11-18(25)6-2-1-3-7-18/h4-5,8-10,25H,1-3,6-7,11H2,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake


Bioorg Med Chem Lett 20: 3107-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.094
BindingDB Entry DOI: 10.7270/Q2D50N4Q
More data for this
Ligand-Target Pair