null

SMILES: C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=IVYMHMMQRKFONZ-XYJCDUHRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 320037   

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))	BDBM320037 (3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F4N5O2S/c1-12-8-29-21(35-12)15-5-14(6-17(7-15)34-19-3-4-28-11-18(19)24)20(33)32-13(2)16-9-30-22(31-10-16)23(25,26)27/h5-10,13,18-19,28H,3-4,11H2,1-2H3,(H,32,33)/t13-,18?,19?/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))	BDBM320037 (3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F4N5O2S/c1-12-8-29-21(35-12)15-5-14(6-17(7-15)34-19-3-4-28-11-18(19)24)20(33)32-13(2)16-9-30-22(31-10-16)23(25,26)27/h5-10,13,18-19,28H,3-4,11H2,1-2H3,(H,32,33)/t13-,18?,19?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	82	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))	BDBM320037 (3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F4N5O2S/c1-12-8-29-21(35-12)15-5-14(6-17(7-15)34-19-3-4-28-11-18(19)24)20(33)32-13(2)16-9-30-22(31-10-16)23(25,26)27/h5-10,13,18-19,28H,3-4,11H2,1-2H3,(H,32,33)/t13-,18?,19?/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 2/3 (Homo sapiens (Human))	BDBM320037 (3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F4N5O2S/c1-12-8-29-21(35-12)15-5-14(6-17(7-15)34-19-3-4-28-11-18(19)24)20(33)32-13(2)16-9-30-22(31-10-16)23(25,26)27/h5-10,13,18-19,28H,3-4,11H2,1-2H3,(H,32,33)/t13-,18?,19?/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	82	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))	BDBM320037 (3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F4N5O2S/c1-12-8-29-21(35-12)15-5-14(6-17(7-15)34-19-3-4-28-11-18(19)24)20(33)32-13(2)16-9-30-22(31-10-16)23(25,26)27/h5-10,13,18-19,28H,3-4,11H2,1-2H3,(H,32,33)/t13-,18?,19?/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
P2X purinoceptor 2/3 (Homo sapiens (Human))	BDBM320037 (3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F4N5O2S/c1-12-8-29-21(35-12)15-5-14(6-17(7-15)34-19-3-4-28-11-18(19)24)20(33)32-13(2)16-9-30-22(31-10-16)23(25,26)27/h5-10,13,18-19,28H,3-4,11H2,1-2H3,(H,32,33)/t13-,18?,19?/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	82	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))	BDBM320037 (3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F4N5O2S/c1-12-8-29-21(35-12)15-5-14(6-17(7-15)34-19-3-4-28-11-18(19)24)20(33)32-13(2)16-9-30-22(31-10-16)23(25,26)27/h5-10,13,18-19,28H,3-4,11H2,1-2H3,(H,32,33)/t13-,18?,19?/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 2 (Homo sapiens (Human))	BDBM320037 (3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F4N5O2S/c1-12-8-29-21(35-12)15-5-14(6-17(7-15)34-19-3-4-28-11-18(19)24)20(33)32-13(2)16-9-30-22(31-10-16)23(25,26)27/h5-10,13,18-19,28H,3-4,11H2,1-2H3,(H,32,33)/t13-,18?,19?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	82	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