BDBM319928 N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (5-methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H-pyran--4- ylmethoxy) benzamide::US10174016, Example 95::US10202369, Example 95::US10472354, Example 95

SMILES: CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F

InChI Key: InChIKey=WLBXKEKEIMKGRV-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 319928   

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))	BDBM319928 (N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...) Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM319928 (N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...) Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	129	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))	BDBM319928 (N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...) Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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
P2X2/3 (Homo sapiens (Human))	BDBM319928 (N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...) Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)	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	129	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))	BDBM319928 (N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...) Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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
P2X2/3 (Homo sapiens (Human))	BDBM319928 (N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...) Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)	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	129	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))	BDBM319928 (N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...) Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM319928 (N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...) Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	129	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