BDBM319958 3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-5-(tetrahydro-2H-pyran-4-ylmethoxy)benzamide::US10174016, Example 125::US10202369, Example 125::US10472354, Example 125

SMILES: CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1

InChI Key: InChIKey=DTZIYRRTWOGOEN-MRXNPFEDSA-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 = 319958   

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))	BDBM319958 (3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...) Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r| Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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 US10183937 (2019) BindingDB Entry DOI: 10.7270/Q2028TNS
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM319958 (3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...) Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r| Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/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))	BDBM319958 (3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...) Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r| Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM319958 (3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...) Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r| Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(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	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 3 (Homo sapiens (Human))	BDBM319958 (3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...) Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r| Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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
P2X2/3 (Homo sapiens (Human))	BDBM319958 (3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...) Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r| Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(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	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))	BDBM319958 (3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...) Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r| Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM319958 (3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...) Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r| Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/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