null

SMILES: C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=LOLIYPRJHUXCPO-OAHLLOKOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 320137   

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))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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 (Homo sapiens (Human))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/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	27	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 2/3 (Homo sapiens (Human))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/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	27	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))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	153	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))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/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	2.59E+3	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))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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))	BDBM320137 (3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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