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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM174816'   
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))
BDBM174816
PNG
(US10053462, 47 | US9102686, 47 | US9540388, 47)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
Show InChI InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
6.30n/a 20n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM174816
PNG
(US10053462, 47 | US9102686, 47 | US9540388, 47)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
Show InChI InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
6.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10053462 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM174816
PNG
(US10053462, 47 | US9102686, 47 | US9540388, 47)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
Show InChI InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
10n/a 253n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM174816
PNG
(US10053462, 47 | US9102686, 47 | US9540388, 47)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
Show InChI InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10053462 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM174816
PNG
(US10053462, 47 | US9102686, 47 | US9540388, 47)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
Show InChI InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321N1 cells were collected and frozen @-80.degree. C. On the day of the experiment, cell membrane preparations were made according...


US Patent US9102686 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DXP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM174816
PNG
(US10053462, 47 | US9102686, 47 | US9540388, 47)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
Show InChI InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20.3n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US10053462 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM174816
PNG
(US10053462, 47 | US9102686, 47 | US9540388, 47)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
Show InChI InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20.3n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca.sup.2+flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Me...


US Patent US9102686 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DXP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM174816
PNG
(US10053462, 47 | US9102686, 47 | US9540388, 47)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
Show InChI InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.92E+3n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US10053462 (2018)

More data for this
Ligand-Target Pair