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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 = 'BDBM398094'   
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))		BDBM398094
PNG
(4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxyli...)
Show SMILES COCCn1cc(C(=O)NC2COc3ccccc3C2)c2c(Cl)cccc12
Show InChI InChI=1S/C21H21ClN2O3/c1-26-10-9-24-12-16(20-17(22)6-4-7-18(20)24)21(25)23-15-11-14-5-2-3-8-19(14)27-13-15/h2-8,12,15H,9-11,13H2,1H3,(H,23,25)
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))		BDBM398094
PNG
(4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxyli...)
Show SMILES COCCn1cc(C(=O)NC2COc3ccccc3C2)c2c(Cl)cccc12
Show InChI InChI=1S/C21H21ClN2O3/c1-26-10-9-24-12-16(20-17(22)6-4-7-18(20)24)21(25)23-15-11-14-5-2-3-8-19(14)27-13-15/h2-8,12,15H,9-11,13H2,1H3,(H,23,25)
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