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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM319834'   
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 3


(Homo sapiens (Human))
BDBM319834
PNG
(3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319834
PNG
(3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319834
PNG
(3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)

More data for this
Ligand-Target Pair