BDBM319891 3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofuran-2-ylmethoxy]-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide::US10174016, Example 58::US10202369, Example 58::US10472354, Example 58

SMILES: C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=MXZPUDRHAAYJOR-KDOFPFPSSA-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 = 319891   

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))	BDBM319891 (3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...) Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-13-9-27-21(34-13)16-6-15(7-19(8-16)33-12-18-4-3-5-32-18)20(31)30-14(2)17-10-28-22(29-11-17)23(24,25)26/h6-11,14,18H,3-5,12H2,1-2H3,(H,30,31)/t14-,18+/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 (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))	BDBM319891 (3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...) Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-13-9-27-21(34-13)16-6-15(7-19(8-16)33-12-18-4-3-5-32-18)20(31)30-14(2)17-10-28-22(29-11-17)23(24,25)26/h6-11,14,18H,3-5,12H2,1-2H3,(H,30,31)/t14-,18+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	461	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))	BDBM319891 (3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...) Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-13-9-27-21(34-13)16-6-15(7-19(8-16)33-12-18-4-3-5-32-18)20(31)30-14(2)17-10-28-22(29-11-17)23(24,25)26/h6-11,14,18H,3-5,12H2,1-2H3,(H,30,31)/t14-,18+/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
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))	BDBM319891 (3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...) Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-13-9-27-21(34-13)16-6-15(7-19(8-16)33-12-18-4-3-5-32-18)20(31)30-14(2)17-10-28-22(29-11-17)23(24,25)26/h6-11,14,18H,3-5,12H2,1-2H3,(H,30,31)/t14-,18+/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	461	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))	BDBM319891 (3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...) Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-13-9-27-21(34-13)16-6-15(7-19(8-16)33-12-18-4-3-5-32-18)20(31)30-14(2)17-10-28-22(29-11-17)23(24,25)26/h6-11,14,18H,3-5,12H2,1-2H3,(H,30,31)/t14-,18+/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 (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))	BDBM319891 (3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...) Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-13-9-27-21(34-13)16-6-15(7-19(8-16)33-12-18-4-3-5-32-18)20(31)30-14(2)17-10-28-22(29-11-17)23(24,25)26/h6-11,14,18H,3-5,12H2,1-2H3,(H,30,31)/t14-,18+/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	461	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))	BDBM319891 (3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...) Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-13-9-27-21(34-13)16-6-15(7-19(8-16)33-12-18-4-3-5-32-18)20(31)30-14(2)17-10-28-22(29-11-17)23(24,25)26/h6-11,14,18H,3-5,12H2,1-2H3,(H,30,31)/t14-,18+/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 2 (Homo sapiens (Human))	BDBM319891 (3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...) Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-13-9-27-21(34-13)16-6-15(7-19(8-16)33-12-18-4-3-5-32-18)20(31)30-14(2)17-10-28-22(29-11-17)23(24,25)26/h6-11,14,18H,3-5,12H2,1-2H3,(H,30,31)/t14-,18+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	461	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