null

SMILES: COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=XKGQQPBORAHPPR-OAHLLOKOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 320059   

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))	BDBM320059 (Methyl 4-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1...) Show SMILES COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N5O4S/c1-14-11-29-22(38-14)17-8-16(9-20(10-17)37-19-4-6-33(7-5-19)24(35)36-3)21(34)32-15(2)18-12-30-23(31-13-18)25(26,27)28/h8-13,15,19H,4-7H2,1-3H3,(H,32,34)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM320059 (Methyl 4-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1...) Show SMILES COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N5O4S/c1-14-11-29-22(38-14)17-8-16(9-20(10-17)37-19-4-6-33(7-5-19)24(35)36-3)21(34)32-15(2)18-12-30-23(31-13-18)25(26,27)28/h8-13,15,19H,4-7H2,1-3H3,(H,32,34)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	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))	BDBM320059 (Methyl 4-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1...) Show SMILES COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N5O4S/c1-14-11-29-22(38-14)17-8-16(9-20(10-17)37-19-4-6-33(7-5-19)24(35)36-3)21(34)32-15(2)18-12-30-23(31-13-18)25(26,27)28/h8-13,15,19H,4-7H2,1-3H3,(H,32,34)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM320059 (Methyl 4-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1...) Show SMILES COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N5O4S/c1-14-11-29-22(38-14)17-8-16(9-20(10-17)37-19-4-6-33(7-5-19)24(35)36-3)21(34)32-15(2)18-12-30-23(31-13-18)25(26,27)28/h8-13,15,19H,4-7H2,1-3H3,(H,32,34)/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	59	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))	BDBM320059 (Methyl 4-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1...) Show SMILES COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N5O4S/c1-14-11-29-22(38-14)17-8-16(9-20(10-17)37-19-4-6-33(7-5-19)24(35)36-3)21(34)32-15(2)18-12-30-23(31-13-18)25(26,27)28/h8-13,15,19H,4-7H2,1-3H3,(H,32,34)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM320059 (Methyl 4-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1...) Show SMILES COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N5O4S/c1-14-11-29-22(38-14)17-8-16(9-20(10-17)37-19-4-6-33(7-5-19)24(35)36-3)21(34)32-15(2)18-12-30-23(31-13-18)25(26,27)28/h8-13,15,19H,4-7H2,1-3H3,(H,32,34)/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	59	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))	BDBM320059 (Methyl 4-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1...) Show SMILES COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N5O4S/c1-14-11-29-22(38-14)17-8-16(9-20(10-17)37-19-4-6-33(7-5-19)24(35)36-3)21(34)32-15(2)18-12-30-23(31-13-18)25(26,27)28/h8-13,15,19H,4-7H2,1-3H3,(H,32,34)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM320059 (Methyl 4-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1...) Show SMILES COC(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N5O4S/c1-14-11-29-22(38-14)17-8-16(9-20(10-17)37-19-4-6-33(7-5-19)24(35)36-3)21(34)32-15(2)18-12-30-23(31-13-18)25(26,27)28/h8-13,15,19H,4-7H2,1-3H3,(H,32,34)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	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