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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 = 'BDBM320117'   
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))
BDBM320117
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-12-28-22(35-20)16-7-15(8-19(9-16)34-13-18-5-4-6-33-18)21(32)31-14(2)17-10-29-23(30-11-17)24(25,26)27/h7-12,14,18H,3-6,13H2,1-2H3,(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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320117
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-12-28-22(35-20)16-7-15(8-19(9-16)34-13-18-5-4-6-33-18)21(32)31-14(2)17-10-29-23(30-11-17)24(25,26)27/h7-12,14,18H,3-6,13H2,1-2H3,(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))
BDBM320117
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-12-28-22(35-20)16-7-15(8-19(9-16)34-13-18-5-4-6-33-18)21(32)31-14(2)17-10-29-23(30-11-17)24(25,26)27/h7-12,14,18H,3-6,13H2,1-2H3,(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



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