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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 = 'BDBM173649'   
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))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.280n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.280n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9649308 (2017)


Article DOI: 10.1016/j.bmcl.2006.10.057
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.280n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9649308 (2017)


Article DOI: 10.1016/j.bmcl.2006.10.057
More data for this
Ligand-Target Pair