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BDBM320215 3-(5-methyl- 1,3-thiazol-2- yl)-5-{[(2R)-4- (propan-2- yl)morpholin- 2-yl]methoxy}- N-{(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide::US10174016, Example 382::US10202369, Example 382

SMILES: CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1

InChI Key: InChIKey=AOHBYHNFISDLHQ-VGSWGCGISA-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 = 320215   
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))
BDBM320215
PNG
(3-(5-methyl- 1,3-thiazol-2- yl)-5-{[(2R)-4- (propa...)
Show SMILES CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320215
PNG
(3-(5-methyl- 1,3-thiazol-2- yl)-5-{[(2R)-4- (propa...)
Show SMILES CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22+/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 432n/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
P2X2/3


()
BDBM320215
PNG
(3-(5-methyl- 1,3-thiazol-2- yl)-5-{[(2R)-4- (propa...)
Show SMILES CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 432n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320215
PNG
(3-(5-methyl- 1,3-thiazol-2- yl)-5-{[(2R)-4- (propa...)
Show SMILES CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22+/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 432n/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))
BDBM320215
PNG
(3-(5-methyl- 1,3-thiazol-2- yl)-5-{[(2R)-4- (propa...)
Show SMILES CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320215
PNG
(3-(5-methyl- 1,3-thiazol-2- yl)-5-{[(2R)-4- (propa...)
Show SMILES CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair