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BDBM319906 3-(5-Methyl- 1,3-thiazol-2- yl)-5-[(3R)- tetrahydrofuran- 3-ylmethoxy]- N-[(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl] benzamide::US10174016, Example 73

SMILES: C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=CHPCVIFXIKJNGF-HUUCEWRRSA-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 = 319906   
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))
BDBM319906
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5-[(3R)- tetrahydr...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-8-27-21(34-13)17-5-16(6-19(7-17)33-12-15-3-4-32-11-15)20(31)30-14(2)18-9-28-22(29-10-18)23(24,25)26/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,30,31)/t14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 2


(HUMAN)
BDBM319906
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5-[(3R)- tetrahydr...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-8-27-21(34-13)17-5-16(6-19(7-17)33-12-15-3-4-32-11-15)20(31)30-14(2)18-9-28-22(29-10-18)23(24,25)26/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,30,31)/t14-,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 101n/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))
BDBM319906
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5-[(3R)- tetrahydr...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-8-27-21(34-13)17-5-16(6-19(7-17)33-12-15-3-4-32-11-15)20(31)30-14(2)18-9-28-22(29-10-18)23(24,25)26/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,30,31)/t14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
P2X purinoceptor 2


(HUMAN)
BDBM319906
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5-[(3R)- tetrahydr...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-8-27-21(34-13)17-5-16(6-19(7-17)33-12-15-3-4-32-11-15)20(31)30-14(2)18-9-28-22(29-10-18)23(24,25)26/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,30,31)/t14-,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 101n/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