BindingDB logo
myBDB logout

BDBM320162 3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide, as a mixture of two diastereoisomers::US10174016, Example 329

SMILES: C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=LFYNTNZWPQXJEM-NKTHEXPSSA-N

Data: 6 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 6 hits for monomerid = 320162   
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))
BDBM320162
PNG
(3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/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)
BDBM320162
PNG
(3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/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)
BDBM320162
PNG
(3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/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)
BDBM320162
PNG
(3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/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))
BDBM320162
PNG
(3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/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 3


(Homo sapiens (human))
BDBM320162
PNG
(3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/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