null

SMILES: C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1

InChI Key: InChIKey=AVOXIOANORGYFZ-MRXNPFEDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 319939   

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))	BDBM319939 (3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM319939 (3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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))	BDBM319939 (3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM319939 (3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/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	41	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))	BDBM319939 (3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM319939 (3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/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	41	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))	BDBM319939 (3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM319939 (3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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