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BDBM320046 3-{[1- (dimethylamino) cyclopropyl] methoxy}- 5-(5-methyl-1,3- thiazol-2-yl)-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide::US10174016, Example 213

SMILES: C[C@@H](NC(=O)c1cc(OCC2(CC2)N(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=GWFQILAPUSJPLG-OAHLLOKOSA-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 = 320046   
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))
BDBM320046
PNG
(3-{[1- (dimethylamino) cyclopropyl] methoxy}- 5-(5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(CC2)N(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O2S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)34-13-23(5-6-23)32(3)4)20(33)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,5-6,13H2,1-4H3,(H,31,33)/t15-/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)
BDBM320046
PNG
(3-{[1- (dimethylamino) cyclopropyl] methoxy}- 5-(5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(CC2)N(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O2S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)34-13-23(5-6-23)32(3)4)20(33)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,5-6,13H2,1-4H3,(H,31,33)/t15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 81n/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))
BDBM320046
PNG
(3-{[1- (dimethylamino) cyclopropyl] methoxy}- 5-(5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(CC2)N(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O2S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)34-13-23(5-6-23)32(3)4)20(33)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,5-6,13H2,1-4H3,(H,31,33)/t15-/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)
BDBM320046
PNG
(3-{[1- (dimethylamino) cyclopropyl] methoxy}- 5-(5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(CC2)N(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O2S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)34-13-23(5-6-23)32(3)4)20(33)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,5-6,13H2,1-4H3,(H,31,33)/t15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 81n/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