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BDBM160080 US10047092, 21::US10053463, 21::US9040534, 21

SMILES: C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1

InChI Key: InChIKey=ATRGWNSYGHAXFE-IMWMWJONNA-N

Data: 6 KI  6 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 = 160080   
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))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent




US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

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antibodypedia
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PC sid
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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))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

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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 (P2X7)


(Rattus norvegicus (Rat))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.5n/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


(Mus musculus)
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
3.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent




US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X7 rat


(Rattus norvegicus (Rat))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.5n/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))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

KEGG

UniProtKB/SwissProt

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



Janssen Pharmaceutica NV

US Patent




US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.59E+3n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent




US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

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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))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/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
P2X7 rat


(Rattus norvegicus (Rat))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.59E+3n/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 (P2X7)


(Rattus norvegicus (Rat))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.58E+3n/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