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BDBM320006 3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- ethyl-1,3-thiazol- 2-yl)-N-{(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl}benzamide::US10174016, Example 173

SMILES: CCc1cnc(s1)-c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=SVMXJSAEFPTNIN-IVZQSRNASA-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 = 320006   
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))
BDBM320006
PNG
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
P2X purinoceptor 2


(HUMAN)
BDBM320006
PNG
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 311n/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
P2X purinoceptor 3


(Homo sapiens (human))
BDBM320006
PNG
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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
P2X purinoceptor 2


(HUMAN)
BDBM320006
PNG
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 311n/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