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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM320016'   
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))
BDBM320016
PNG
(Trans Isomer 1; 3- {[3-hydroxybutan- 2-yl]oxy}-5-(...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-10-26-21(33-11)16-7-15(8-17(9-16)32-14(4)13(3)30)20(31)27-12(2)18-5-6-19(29-28-18)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,27,31)/t12-,13?,14?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM320016
PNG
(Trans Isomer 1; 3- {[3-hydroxybutan- 2-yl]oxy}-5-(...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-10-26-21(33-11)16-7-15(8-17(9-16)32-14(4)13(3)30)20(31)27-12(2)18-5-6-19(29-28-18)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,27,31)/t12-,13?,14?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM320016
PNG
(Trans Isomer 1; 3- {[3-hydroxybutan- 2-yl]oxy}-5-(...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-10-26-21(33-11)16-7-15(8-17(9-16)32-14(4)13(3)30)20(31)27-12(2)18-5-6-19(29-28-18)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,27,31)/t12-,13?,14?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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))
BDBM320016
PNG
(Trans Isomer 1; 3- {[3-hydroxybutan- 2-yl]oxy}-5-(...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-10-26-21(33-11)16-7-15(8-17(9-16)32-14(4)13(3)30)20(31)27-12(2)18-5-6-19(29-28-18)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,27,31)/t12-,13?,14?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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))
BDBM320016
PNG
(Trans Isomer 1; 3- {[3-hydroxybutan- 2-yl]oxy}-5-(...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-10-26-21(33-11)16-7-15(8-17(9-16)32-14(4)13(3)30)20(31)27-12(2)18-5-6-19(29-28-18)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,27,31)/t12-,13?,14?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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