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BDBM320136 3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trifluoroethyl) piperidin-4-yl]oxy}- N-{(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl}benzamide::US10174016, Example 303

SMILES: C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=HEBACSHOFHMYBR-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 = 320136   
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))
BDBM320136
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/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)
BDBM320136
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/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))
BDBM320136
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/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)
BDBM320136
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/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