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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM322394'   
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))
BDBM322394
PNG
(3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-3-yloxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O2S/c1-13-9-28-21(34-13)16-6-15(7-19(8-16)33-18-4-3-5-27-12-18)20(32)31-14(2)17-10-29-22(30-11-17)23(24,25)26/h6-11,14,18,27H,3-5,12H2,1-2H3,(H,31,32)/t14-,18?/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))
BDBM322394
PNG
(3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-3-yloxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O2S/c1-13-9-28-21(34-13)16-6-15(7-19(8-16)33-18-4-3-5-27-12-18)20(32)31-14(2)17-10-29-22(30-11-17)23(24,25)26/h6-11,14,18,27H,3-5,12H2,1-2H3,(H,31,32)/t14-,18?/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