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BDBM320210 3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylmorpholin- 2-yl]methoxy}-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide::US10174016, Example 377

SMILES: CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=PEGAFCGSQABLTK-FOIQADDNSA-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 = 320210   
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))
BDBM320210
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/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)
BDBM320210
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 273n/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))
BDBM320210
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/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)
BDBM320210
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 273n/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