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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 = 'BDBM320091'   
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))
BDBM320091
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1
Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320091
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1
Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/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))
BDBM320091
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1
Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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