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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM398235'   
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
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM398235
PNG
(4-chloro-N-((4, 4-difluorocyclohexyl)methyl)-1-(pi...)
Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC3CCNCC3)c3cccc(Cl)c23)CC1
Show InChI InChI=1S/C22H28ClF2N3O/c23-18-2-1-3-19-20(18)17(14-28(19)13-16-6-10-26-11-7-16)21(29)27-12-15-4-8-22(24,25)9-5-15/h1-3,14-16,26H,4-13H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....

US Patent US10676433 (2020)


BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM398235
PNG
(4-chloro-N-((4, 4-difluorocyclohexyl)methyl)-1-(pi...)
Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC3CCNCC3)c3cccc(Cl)c23)CC1
Show InChI InChI=1S/C22H28ClF2N3O/c23-18-2-1-3-19-20(18)17(14-28(19)13-16-6-10-26-11-7-16)21(29)27-12-15-4-8-22(24,25)9-5-15/h1-3,14-16,26H,4-13H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Philipps-University Marburg



Assay Description
Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....

Bioorg Med Chem 16: 8574-86 (2008)


BindingDB Entry DOI: 10.7270/Q26M395S
More data for this
Ligand-Target Pair