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BDBM160133 US10047092, 74::US10053463, 74::US9040534, 74

SMILES: CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1

InChI Key: InChIKey=NDRUMRHLBVUNJD-LDGXTIHJNA-N

Data: 4 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 10 hits for monomerid = 160133   
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


(Mus musculus)
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
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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 US10053463 (2018)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
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 US10047092 (2018)


Article DOI: 10.1021/jm960789h
BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
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 US10053463 (2018)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
10n/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)
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 5.10n/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 US10053463 (2018)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.5n/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 US10053463 (2018)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X7 rat


(Rattus norvegicus (Rat))
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 5.10n/an/an/an/a7.4n/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 US10047092 (2018)


Article DOI: 10.1021/jm960789h
BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.10n/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))
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.5n/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))
BDBM160133
PNG
(US10047092, 74 | US10053463, 74 | US9040534, 74)
Show SMILES CC[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-2-11-9-28-15(13-6-7-23-24-13)25-26-16(28)17(29)27(11)8-10-4-3-5-12(14(10)19)18(20,21)22/h3-7,11H,2,8-9H2,1H3,(H,23,24)/t11-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.5n/an/an/an/a7.4n/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 US10047092 (2018)


Article DOI: 10.1021/jm960789h
BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair