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BDBM246968 (S)-3-(2-chloro-3-(trifluoromethyl)phenyl)-5-methyl-8-(4-methylpyridin-2-yl)-5,6-dihydrobis([1,2,4]triazolo)[4,3-a:3′,4′-c]pyrazine::US10053463, 125

SMILES: C[C@H]1Cn2c(nnc2-c2cc(C)ccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12

InChI Key: InChIKey=KOVCDCNVGPVAHB-LDGXTIHJNA-N

Data: 2 KI  2 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 4 hits for monomerid = 246968   
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))
BDBM246968
PNG
((S)-3-(2-chloro-3-(trifluoromethyl)phenyl)-5-methy...)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(C)ccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1/C20H15ClF3N7/c1-10-6-7-25-14(8-10)17-27-28-18-19-29-26-16(31(19)11(2)9-30(17)18)12-4-3-5-13(15(12)21)20(22,23)24/h3-8,11H,9H2,1-2H3/t11-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
10.5n/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


(Mus musculus)
BDBM246968
PNG
((S)-3-(2-chloro-3-(trifluoromethyl)phenyl)-5-methy...)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(C)ccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1/C20H15ClF3N7/c1-10-6-7-25-14(8-10)17-27-28-18-19-29-26-16(31(19)11(2)9-30(17)18)12-4-3-5-13(15(12)21)20(22,23)24/h3-8,11H,9H2,1-2H3/t11-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
10.5n/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))
BDBM246968
PNG
((S)-3-(2-chloro-3-(trifluoromethyl)phenyl)-5-methy...)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(C)ccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1/C20H15ClF3N7/c1-10-6-7-25-14(8-10)17-27-28-18-19-29-26-16(31(19)11(2)9-30(17)18)12-4-3-5-13(15(12)21)20(22,23)24/h3-8,11H,9H2,1-2H3/t11-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.60n/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


(Mus musculus)
BDBM246968
PNG
((S)-3-(2-chloro-3-(trifluoromethyl)phenyl)-5-methy...)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(C)ccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1/C20H15ClF3N7/c1-10-6-7-25-14(8-10)17-27-28-18-19-29-26-16(31(19)11(2)9-30(17)18)12-4-3-5-13(15(12)21)20(22,23)24/h3-8,11H,9H2,1-2H3/t11-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.20n/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