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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 = 'BDBM398081'   
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))		BDBM398081
PNG
(4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxyli...)
Show SMILES COCCn1cc(C(=O)NCC2(CCC(F)(F)CC2)OC)c2c(Cl)cccc12
Show InChI InChI=1S/C20H25ClF2N2O3/c1-27-11-10-25-12-14(17-15(21)4-3-5-16(17)25)18(26)24-13-19(28-2)6-8-20(22,23)9-7-19/h3-5,12H,6-11,13H2,1-2H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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))		BDBM398081
PNG
(4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxyli...)
Show SMILES COCCn1cc(C(=O)NCC2(CCC(F)(F)CC2)OC)c2c(Cl)cccc12
Show InChI InChI=1S/C20H25ClF2N2O3/c1-27-11-10-25-12-14(17-15(21)4-3-5-16(17)25)18(26)24-13-19(28-2)6-8-20(22,23)9-7-19/h3-5,12H,6-11,13H2,1-2H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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