BindingDB logo
myBDB logout

BDBM319962 3-(5-Ethyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H-pyran-4-yloxy)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide::US10174016, Example 129

SMILES: CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=HAECKPIYFMDTPM-CQSZACIVSA-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 = 319962   
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))
BDBM319962
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H-pyra...)
Show SMILES CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-13-28-22(35-20)16-8-15(9-19(10-16)34-18-4-6-33-7-5-18)21(32)31-14(2)17-11-29-23(30-12-17)24(25,26)27/h8-14,18H,3-7H2,1-2H3,(H,31,32)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)
BDBM319962
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H-pyra...)
Show SMILES CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-13-28-22(35-20)16-8-15(9-19(10-16)34-18-4-6-33-7-5-18)21(32)31-14(2)17-11-29-23(30-12-17)24(25,26)27/h8-14,18H,3-7H2,1-2H3,(H,31,32)/t14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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))
BDBM319962
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H-pyra...)
Show SMILES CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-13-28-22(35-20)16-8-15(9-19(10-16)34-18-4-6-33-7-5-18)21(32)31-14(2)17-11-29-23(30-12-17)24(25,26)27/h8-14,18H,3-7H2,1-2H3,(H,31,32)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)
BDBM319962
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H-pyra...)
Show SMILES CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-13-28-22(35-20)16-8-15(9-19(10-16)34-18-4-6-33-7-5-18)21(32)31-14(2)17-11-29-23(30-12-17)24(25,26)27/h8-14,18H,3-7H2,1-2H3,(H,31,32)/t14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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