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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 = 'BDBM242069'   
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))
BDBM242069
PNG
(US9415055, 2,3-dichloro-N-[2-(4,4-difluoro-1-piper...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1/C19H17Cl2F5N4O/c20-13-3-1-2-12(15(13)21)16(31)27-10-14(30-6-4-18(22,23)5-7-30)11-8-28-17(29-9-11)19(24,25)26/h1-3,8-9,14H,4-7,10H2,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.650n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9593105 (2017)


Article DOI: 10.1021/jm020319p
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242069
PNG
(US9415055, 2,3-dichloro-N-[2-(4,4-difluoro-1-piper...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1/C19H17Cl2F5N4O/c20-13-3-1-2-12(15(13)21)16(31)27-10-14(30-6-4-18(22,23)5-7-30)11-8-28-17(29-9-11)19(24,25)26/h1-3,8-9,14H,4-7,10H2,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.650n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...


US Patent US9415055 (2016)

More data for this
Ligand-Target Pair