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BDBM254169 US10112937, Example 54::US10150765, Example 54::US9464084, 54

SMILES: FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl

InChI Key: InChIKey=SZTATUNQORHJBD-UHFFFAOYSA-N

Data: 4 KI  8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 254169   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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43.7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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43.7n/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 US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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43.7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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43.7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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n/an/a 198n/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 US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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n/an/a 4.11E+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 US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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n/an/a 198n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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n/an/a 4.11E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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n/an/a 198n/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 US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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n/an/a 4.11E+3n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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n/an/a 198n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254169
PNG
(US10112937, Example 54 | US10150765, Example 54 | ...)
Show SMILES FC(F)(F)c1cccc(C(=O)N2Cc3ncn(c3C=C2)-c2cnccn2)c1Cl
Show InChI InChI=1S/C18H11ClF3N5O/c19-16-11(2-1-3-12(16)18(20,21)22)17(28)26-7-4-14-13(9-26)25-10-27(14)15-8-23-5-6-24-15/h1-8,10H,9H2
PDB

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n/an/a 4.11E+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 US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair