null

SMILES: C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=ASXORIIIQIGPLA-OAHLLOKOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 319941   

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))	BDBM319941 (3-[(6-Methylpyridin-3-yl)oxy]-5-(5-methyl-1,3-thia...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-4-5-19(12-28-13)34-20-7-16(6-17(8-20)22-29-9-14(2)35-22)21(33)32-15(3)18-10-30-23(31-11-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM319941 (3-[(6-Methylpyridin-3-yl)oxy]-5-(5-methyl-1,3-thia...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-4-5-19(12-28-13)34-20-7-16(6-17(8-20)22-29-9-14(2)35-22)21(33)32-15(3)18-10-30-23(31-11-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	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))	BDBM319941 (3-[(6-Methylpyridin-3-yl)oxy]-5-(5-methyl-1,3-thia...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-4-5-19(12-28-13)34-20-7-16(6-17(8-20)22-29-9-14(2)35-22)21(33)32-15(3)18-10-30-23(31-11-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM319941 (3-[(6-Methylpyridin-3-yl)oxy]-5-(5-methyl-1,3-thia...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-4-5-19(12-28-13)34-20-7-16(6-17(8-20)22-29-9-14(2)35-22)21(33)32-15(3)18-10-30-23(31-11-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/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	83	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))	BDBM319941 (3-[(6-Methylpyridin-3-yl)oxy]-5-(5-methyl-1,3-thia...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-4-5-19(12-28-13)34-20-7-16(6-17(8-20)22-29-9-14(2)35-22)21(33)32-15(3)18-10-30-23(31-11-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM319941 (3-[(6-Methylpyridin-3-yl)oxy]-5-(5-methyl-1,3-thia...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-4-5-19(12-28-13)34-20-7-16(6-17(8-20)22-29-9-14(2)35-22)21(33)32-15(3)18-10-30-23(31-11-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/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	83	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))	BDBM319941 (3-[(6-Methylpyridin-3-yl)oxy]-5-(5-methyl-1,3-thia...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-4-5-19(12-28-13)34-20-7-16(6-17(8-20)22-29-9-14(2)35-22)21(33)32-15(3)18-10-30-23(31-11-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM319941 (3-[(6-Methylpyridin-3-yl)oxy]-5-(5-methyl-1,3-thia...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccc(C)nc2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-4-5-19(12-28-13)34-20-7-16(6-17(8-20)22-29-9-14(2)35-22)21(33)32-15(3)18-10-30-23(31-11-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	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