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BDBM319958 3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(tetrahydro-2H-pyran-4-ylmethoxy)benzamide::US10174016, Example 125

SMILES: CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1

InChI Key: InChIKey=DTZIYRRTWOGOEN-MRXNPFEDSA-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 = 319958   
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))
BDBM319958
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...)
Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1
Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/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)
BDBM319958
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...)
Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1
Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/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))
BDBM319958
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...)
Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1
Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/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)
BDBM319958
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...)
Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1
Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/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