BDBM320162 3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide, as a mixture of two diastereoisomers::US10174016, Example 329::US10202369, Example 330::US10472354, Example 332

SMILES: C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=LFYNTNZWPQXJEM-NKTHEXPSSA-N

Data: 14 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 14 hits for monomerid = 320162   

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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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 (Homo sapiens (Human))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/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	174	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/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	120	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/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	170	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/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	120	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM320162 (3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-21(35-14)17-7-16(8-19(9-17)33-13-23(3)5-4-6-34-23)20(32)31-15(2)18-11-29-22(30-12-18)24(25,26)27/h7-12,15H,4-6,13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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