BindingDB logo
myBDB logout

BDBM320200 3-(5-chloro- 1,3-thiazol-2- yl)-5-{[(2R)-4- methylmorpholin- 2-yl]methoxy}-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5-yl] ethyl}benzamide::US10174016, Example 367::US10202369, Example 367

SMILES: C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=AJIHXKQJGQMCEX-FZKQIMNGSA-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 = 320200   
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))
BDBM320200
PNG
(3-(5-chloro- 1,3-thiazol-2- yl)-5-{[(2R)-4- methyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13(16-8-29-22(30-9-16)23(25,26)27)31-20(33)14-5-15(21-28-10-19(24)36-21)7-17(6-14)35-12-18-11-32(2)3-4-34-18/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,31,33)/t13-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 13n/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)


Article DOI: 10.1016/j.bmc.2006.07.028
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320200
PNG
(3-(5-chloro- 1,3-thiazol-2- yl)-5-{[(2R)-4- methyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13(16-8-29-22(30-9-16)23(25,26)27)31-20(33)14-5-15(21-28-10-19(24)36-21)7-17(6-14)35-12-18-11-32(2)3-4-34-18/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,31,33)/t13-,18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 506n/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)


Article DOI: 10.1016/j.bmc.2006.07.028
More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320200
PNG
(3-(5-chloro- 1,3-thiazol-2- yl)-5-{[(2R)-4- methyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13(16-8-29-22(30-9-16)23(25,26)27)31-20(33)14-5-15(21-28-10-19(24)36-21)7-17(6-14)35-12-18-11-32(2)3-4-34-18/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,31,33)/t13-,18-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 506n/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 US10202369 (2019)


Article DOI: 10.1016/j.str.2004.10.004
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320200
PNG
(3-(5-chloro- 1,3-thiazol-2- yl)-5-{[(2R)-4- methyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13(16-8-29-22(30-9-16)23(25,26)27)31-20(33)14-5-15(21-28-10-19(24)36-21)7-17(6-14)35-12-18-11-32(2)3-4-34-18/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,31,33)/t13-,18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 506n/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)


Article DOI: 10.1016/j.bmcl.2005.04.028
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320200
PNG
(3-(5-chloro- 1,3-thiazol-2- yl)-5-{[(2R)-4- methyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13(16-8-29-22(30-9-16)23(25,26)27)31-20(33)14-5-15(21-28-10-19(24)36-21)7-17(6-14)35-12-18-11-32(2)3-4-34-18/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,31,33)/t13-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 13n/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 US10202369 (2019)


Article DOI: 10.1016/j.str.2004.10.004
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320200
PNG
(3-(5-chloro- 1,3-thiazol-2- yl)-5-{[(2R)-4- methyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13(16-8-29-22(30-9-16)23(25,26)27)31-20(33)14-5-15(21-28-10-19(24)36-21)7-17(6-14)35-12-18-11-32(2)3-4-34-18/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,31,33)/t13-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 13n/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)


Article DOI: 10.1016/j.bmcl.2005.04.028
More data for this
Ligand-Target Pair