null

SMILES: CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=KJLXSAGNAKDMHX-GFCCVEGCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 320002   

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))	BDBM320002 (3-(5-ethyl-1,3- thiazol-2-yl)-5- (oxetan-3-yloxy)-...) Show SMILES CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-3-18-9-26-20(33-18)14-4-13(5-16(6-14)32-17-10-31-11-17)19(30)29-12(2)15-7-27-21(28-8-15)22(23,24)25/h4-9,12,17H,3,10-11H2,1-2H3,(H,29,30)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM320002 (3-(5-ethyl-1,3- thiazol-2-yl)-5- (oxetan-3-yloxy)-...) Show SMILES CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-3-18-9-26-20(33-18)14-4-13(5-16(6-14)32-17-10-31-11-17)19(30)29-12(2)15-7-27-21(28-8-15)22(23,24)25/h4-9,12,17H,3,10-11H2,1-2H3,(H,29,30)/t12-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	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))	BDBM320002 (3-(5-ethyl-1,3- thiazol-2-yl)-5- (oxetan-3-yloxy)-...) Show SMILES CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-3-18-9-26-20(33-18)14-4-13(5-16(6-14)32-17-10-31-11-17)19(30)29-12(2)15-7-27-21(28-8-15)22(23,24)25/h4-9,12,17H,3,10-11H2,1-2H3,(H,29,30)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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
P2X purinoceptor 2/3 (Homo sapiens (Human))	BDBM320002 (3-(5-ethyl-1,3- thiazol-2-yl)-5- (oxetan-3-yloxy)-...) Show SMILES CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-3-18-9-26-20(33-18)14-4-13(5-16(6-14)32-17-10-31-11-17)19(30)29-12(2)15-7-27-21(28-8-15)22(23,24)25/h4-9,12,17H,3,10-11H2,1-2H3,(H,29,30)/t12-/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	70	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))	BDBM320002 (3-(5-ethyl-1,3- thiazol-2-yl)-5- (oxetan-3-yloxy)-...) Show SMILES CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-3-18-9-26-20(33-18)14-4-13(5-16(6-14)32-17-10-31-11-17)19(30)29-12(2)15-7-27-21(28-8-15)22(23,24)25/h4-9,12,17H,3,10-11H2,1-2H3,(H,29,30)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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 2/3 (Homo sapiens (Human))	BDBM320002 (3-(5-ethyl-1,3- thiazol-2-yl)-5- (oxetan-3-yloxy)-...) Show SMILES CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-3-18-9-26-20(33-18)14-4-13(5-16(6-14)32-17-10-31-11-17)19(30)29-12(2)15-7-27-21(28-8-15)22(23,24)25/h4-9,12,17H,3,10-11H2,1-2H3,(H,29,30)/t12-/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	70	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))	BDBM320002 (3-(5-ethyl-1,3- thiazol-2-yl)-5- (oxetan-3-yloxy)-...) Show SMILES CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-3-18-9-26-20(33-18)14-4-13(5-16(6-14)32-17-10-31-11-17)19(30)29-12(2)15-7-27-21(28-8-15)22(23,24)25/h4-9,12,17H,3,10-11H2,1-2H3,(H,29,30)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM320002 (3-(5-ethyl-1,3- thiazol-2-yl)-5- (oxetan-3-yloxy)-...) Show SMILES CCc1cnc(s1)-c1cc(OC2COC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O3S/c1-3-18-9-26-20(33-18)14-4-13(5-16(6-14)32-17-10-31-11-17)19(30)29-12(2)15-7-27-21(28-8-15)22(23,24)25/h4-9,12,17H,3,10-11H2,1-2H3,(H,29,30)/t12-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	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