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BDBM320216 3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy}-5- (5-methyl-1,3- thiazol-2-yl)- N-{(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide, as a mixture of 2 diastereoisomers::US10174016, Example 383

SMILES: C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=LGPVNMAGAZJDEW-NYRJJRHWSA-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 = 320216   
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))
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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)
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/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)
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/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)
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/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))
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/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