BDBM320136 3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trifluoroethyl) piperidin-4-yl]oxy}- N-{(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl}benzamide::US10174016, Example 303::US10202369, Example 310::US10472354, Example 303

SMILES: C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=HEBACSHOFHMYBR-OAHLLOKOSA-N

Data: 10 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 10 hits for monomerid = 320136   

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))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/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))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	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))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/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))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	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))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/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	38	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))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/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	38	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))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	116	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))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/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	1.68E+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
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/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
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM320136 (3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/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