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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM319996'   
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))
BDBM319996
PNG
(US10174016, Example 163 | US10202369, Example 340)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-8-26-20(33-11)16-5-15(6-18(7-16)32-14(4)13(3)30)19(31)29-12(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,29,31)/t12-,13?,14?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM319996
PNG
(US10174016, Example 163 | US10202369, Example 340)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-8-26-20(33-11)16-5-15(6-18(7-16)32-14(4)13(3)30)19(31)29-12(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,29,31)/t12-,13?,14?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM319996
PNG
(US10174016, Example 163 | US10202369, Example 340)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-8-26-20(33-11)16-5-15(6-18(7-16)32-14(4)13(3)30)19(31)29-12(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,29,31)/t12-,13?,14?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM319996
PNG
(US10174016, Example 163 | US10202369, Example 340)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-8-26-20(33-11)16-5-15(6-18(7-16)32-14(4)13(3)30)19(31)29-12(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,29,31)/t12-,13?,14?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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