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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 = 'BDBM322397'   
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))
BDBM322397
PNG
(US10183937, Example 208 | US10202369, Example 208)
Show SMILES C[C@H](NC(=O)c1cc(OC2CCNC(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H23F6N5O2S/c1-12-9-32-21(38-12)15-5-14(6-18(7-15)37-17-3-4-31-19(8-17)23(25,26)27)20(36)35-13(2)16-10-33-22(34-11-16)24(28,29)30/h5-7,9-11,13,17,19,31H,3-4,8H2,1-2H3,(H,35,36)/t13-,17?,19?/m0/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))
BDBM322397
PNG
(US10183937, Example 208 | US10202369, Example 208)
Show SMILES C[C@H](NC(=O)c1cc(OC2CCNC(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H23F6N5O2S/c1-12-9-32-21(38-12)15-5-14(6-18(7-15)37-17-3-4-31-19(8-17)23(25,26)27)20(36)35-13(2)16-10-33-22(34-11-16)24(28,29)30/h5-7,9-11,13,17,19,31H,3-4,8H2,1-2H3,(H,35,36)/t13-,17?,19?/m0/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