BDBM320111 3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydrofuran-3- ylmethoxy]-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide::US10174016, Example 278::US10472354, Example 278

SMILES: CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=VOKPPDDBRIDGES-CABCVRRESA-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 = 320111   

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))	BDBM320111 (3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/m1/s1	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))	BDBM320111 (3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	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))	BDBM320111 (3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/m1/s1	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))	BDBM320111 (3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/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	23	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))	BDBM320111 (3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/m1/s1	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
P2X2/3 (Homo sapiens (Human))	BDBM320111 (3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/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	35	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))	BDBM320111 (3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/m1/s1	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))	BDBM320111 (3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	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