BDBM319989 3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- thiazol-2-yl)-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl}benzamide::US10174016, Example 156::US10202369, Example 156::US10472354, Example 156

SMILES: C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=OYDLDEWAXBGGBJ-CYBMUJFWSA-N

Data: 8 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 8 hits for monomerid = 319989   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM319989 (3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- t...) Show SMILES C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-12-7-26-19(33-12)15-4-14(5-17(6-15)32-21(3)10-31-11-21)18(30)29-13(2)16-8-27-20(28-9-16)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,29,30)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2028TNS
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM319989 (3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- t...) Show SMILES C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-12-7-26-19(33-12)15-4-14(5-17(6-15)32-21(3)10-31-11-21)18(30)29-13(2)16-8-27-20(28-9-16)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,29,30)/t13-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2028TNS
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM319989 (3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- t...) Show SMILES C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-12-7-26-19(33-12)15-4-14(5-17(6-15)32-21(3)10-31-11-21)18(30)29-13(2)16-8-27-20(28-9-16)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,29,30)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2GB264F
					More data for this Ligand-Target Pair
P2X2/3 (Homo sapiens (Human))	BDBM319989 (3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- t...) Show SMILES C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-12-7-26-19(33-12)15-4-14(5-17(6-15)32-21(3)10-31-11-21)18(30)29-13(2)16-8-27-20(28-9-16)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,29,30)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat...				US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM319989 (3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- t...) Show SMILES C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-12-7-26-19(33-12)15-4-14(5-17(6-15)32-21(3)10-31-11-21)18(30)29-13(2)16-8-27-20(28-9-16)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,29,30)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TT4T2P
					More data for this Ligand-Target Pair
P2X2/3 (Homo sapiens (Human))	BDBM319989 (3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- t...) Show SMILES C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-12-7-26-19(33-12)15-4-14(5-17(6-15)32-21(3)10-31-11-21)18(30)29-13(2)16-8-27-20(28-9-16)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,29,30)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TT4T2P
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM319989 (3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- t...) Show SMILES C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-12-7-26-19(33-12)15-4-14(5-17(6-15)32-21(3)10-31-11-21)18(30)29-13(2)16-8-27-20(28-9-16)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,29,30)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat...				US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM319989 (3-[(3- methyloxetan-3- yl)oxy]-5-(5- methyl-1,3- t...) Show SMILES C[C@@H](NC(=O)c1cc(OC2(C)COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-12-7-26-19(33-12)15-4-14(5-17(6-15)32-21(3)10-31-11-21)18(30)29-13(2)16-8-27-20(28-9-16)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,29,30)/t13-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2GB264F
					More data for this Ligand-Target Pair