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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 = 'BDBM160075'   
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))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
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Article
1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent




US Patent US10047092 (2018)


Article DOI: 10.1021/jm960789h
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

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UniProtKB/SwissProt

antibodypedia
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US Patent
1.60n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
n/an/a 0.700n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent




US Patent US10047092 (2018)


Article DOI: 10.1021/jm960789h
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/a 0.700n/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)

More data for this
Ligand-Target Pair