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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 = 'BDBM322411'   
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))
BDBM322411
PNG
(3-(5-methyl-1,3-thiazol-2-yl)-5-{[1-methyl-2-(trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H25F6N5O2S/c1-13-10-32-22(39-13)16-6-15(21(37)35-14(2)17-11-33-23(34-12-17)25(29,30)31)7-19(8-16)38-18-4-5-36(3)20(9-18)24(26,27)28/h6-8,10-12,14,18,20H,4-5,9H2,1-3H3,(H,35,37)/t14-,18?,20?/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))
BDBM322411
PNG
(3-(5-methyl-1,3-thiazol-2-yl)-5-{[1-methyl-2-(trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H25F6N5O2S/c1-13-10-32-22(39-13)16-6-15(21(37)35-14(2)17-11-33-23(34-12-17)25(29,30)31)7-19(8-16)38-18-4-5-36(3)20(9-18)24(26,27)28/h6-8,10-12,14,18,20H,4-5,9H2,1-3H3,(H,35,37)/t14-,18?,20?/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