BindingDB logo
myBDB logout

BDBM322546 US10183937, Example 357::US10202369, Example 357

SMILES: C[C@H](NC(=O)c1cc(OCC2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=JEEGJUGZAOELQB-FXIRQEPWSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 322546   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322546
PNG
(US10183937, Example 357 | US10202369, Example 357)
Show SMILES C[C@H](NC(=O)c1cc(OCC2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H27F4N5O2S/c1-15-10-30-22(37-15)18-7-17(8-20(9-18)36-14-24(26)5-4-6-34(3)13-24)21(35)33-16(2)19-11-31-23(32-12-19)25(27,28)29/h7-12,16H,4-6,13-14H2,1-3H3,(H,33,35)/t16-,24?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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
P2X2/3


()
BDBM322546
PNG
(US10183937, Example 357 | US10202369, Example 357)
Show SMILES C[C@H](NC(=O)c1cc(OCC2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H27F4N5O2S/c1-15-10-30-22(37-15)18-7-17(8-20(9-18)36-14-24(26)5-4-6-34(3)13-24)21(35)33-16(2)19-11-31-23(32-12-19)25(27,28)29/h7-12,16H,4-6,13-14H2,1-3H3,(H,33,35)/t16-,24?/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 310n/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))
BDBM322546
PNG
(US10183937, Example 357 | US10202369, Example 357)
Show SMILES C[C@H](NC(=O)c1cc(OCC2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H27F4N5O2S/c1-15-10-30-22(37-15)18-7-17(8-20(9-18)36-14-24(26)5-4-6-34(3)13-24)21(35)33-16(2)19-11-31-23(32-12-19)25(27,28)29/h7-12,16H,4-6,13-14H2,1-3H3,(H,33,35)/t16-,24?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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 2


(Homo sapiens (Human))
BDBM322546
PNG
(US10183937, Example 357 | US10202369, Example 357)
Show SMILES C[C@H](NC(=O)c1cc(OCC2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H27F4N5O2S/c1-15-10-30-22(37-15)18-7-17(8-20(9-18)36-14-24(26)5-4-6-34(3)13-24)21(35)33-16(2)19-11-31-23(32-12-19)25(27,28)29/h7-12,16H,4-6,13-14H2,1-3H3,(H,33,35)/t16-,24?/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 310n/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