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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM160072'   
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))
BDBM160072
PNG
(US10047092, 13 | US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl |r|
Show InChI InChI=1/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent




US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US10047092, 13 | US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl |r|
Show InChI InChI=1/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US10047092, 13 | US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl |r|
Show InChI InChI=1/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent




US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US10047092, 13 | US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl |r|
Show InChI InChI=1/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US10047092, 13 | US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl |r|
Show InChI InChI=1/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux after 30 mins by FLIPR assay


Bioorg Med Chem Lett 26: 257-61 (2016)


BindingDB Entry DOI: 10.7270/Q2MW2K0Z
More data for this
Ligand-Target Pair