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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM242080'   
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))
BDBM242080
PNG
(US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperi...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1/C20H18ClF6N3O/c21-13-2-1-3-14(22)17(13)18(31)29-11-15(30-8-6-19(23,24)7-9-30)12-4-5-16(28-10-12)20(25,26)27/h1-5,10,15H,6-9,11H2,(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242080
PNG
(US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperi...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1/C20H18ClF6N3O/c21-13-2-1-3-14(22)17(13)18(31)29-11-15(30-8-6-19(23,24)7-9-30)12-4-5-16(28-10-12)20(25,26)27/h1-5,10,15H,6-9,11H2,(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.620n/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))
BDBM242080
PNG
(US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperi...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1/C20H18ClF6N3O/c21-13-2-1-3-14(22)17(13)18(31)29-11-15(30-8-6-19(23,24)7-9-30)12-4-5-16(28-10-12)20(25,26)27/h1-5,10,15H,6-9,11H2,(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 3n/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