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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 = 'BDBM320075'   
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))
BDBM320075
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-3-19-11-27-21(34-19)15-6-14(7-18(8-15)33-17-4-5-32-12-17)20(31)30-13(2)16-9-28-22(29-10-16)23(24,25)26/h6-11,13,17H,3-5,12H2,1-2H3,(H,30,31)/t13-,17-/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))
BDBM320075
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-3-19-11-27-21(34-19)15-6-14(7-18(8-15)33-17-4-5-32-12-17)20(31)30-13(2)16-9-28-22(29-10-16)23(24,25)26/h6-11,13,17H,3-5,12H2,1-2H3,(H,30,31)/t13-,17-/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))
BDBM320075
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-3-19-11-27-21(34-19)15-6-14(7-18(8-15)33-17-4-5-32-12-17)20(31)30-13(2)16-9-28-22(29-10-16)23(24,25)26/h6-11,13,17H,3-5,12H2,1-2H3,(H,30,31)/t13-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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