BDBM320045 3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- methyl-1,3- thiazol-2-yl)-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide, as a single unknown isomer::US10174016, Example 212::US10202369, Example 212::US10472354, Example 212

SMILES: C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=XFFHESNTQMKRAI-WPUWVODUSA-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 = 320045   

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))	BDBM320045 (3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O2S/c1-13-9-29-22(36-13)16-6-15(7-18(8-16)35-20-4-5-33(3)12-19(20)25)21(34)32-14(2)17-10-30-23(31-11-17)24(26,27)28/h6-11,14,19-20H,4-5,12H2,1-3H3,(H,32,34)/t14-,19?,20?/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))	BDBM320045 (3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O2S/c1-13-9-29-22(36-13)16-6-15(7-18(8-16)35-20-4-5-33(3)12-19(20)25)21(34)32-14(2)17-10-30-23(31-11-17)24(26,27)28/h6-11,14,19-20H,4-5,12H2,1-3H3,(H,32,34)/t14-,19?,20?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	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))	BDBM320045 (3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O2S/c1-13-9-29-22(36-13)16-6-15(7-18(8-16)35-20-4-5-33(3)12-19(20)25)21(34)32-14(2)17-10-30-23(31-11-17)24(26,27)28/h6-11,14,19-20H,4-5,12H2,1-3H3,(H,32,34)/t14-,19?,20?/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))	BDBM320045 (3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O2S/c1-13-9-29-22(36-13)16-6-15(7-18(8-16)35-20-4-5-33(3)12-19(20)25)21(34)32-14(2)17-10-30-23(31-11-17)24(26,27)28/h6-11,14,19-20H,4-5,12H2,1-3H3,(H,32,34)/t14-,19?,20?/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	46	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))	BDBM320045 (3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O2S/c1-13-9-29-22(36-13)16-6-15(7-18(8-16)35-20-4-5-33(3)12-19(20)25)21(34)32-14(2)17-10-30-23(31-11-17)24(26,27)28/h6-11,14,19-20H,4-5,12H2,1-3H3,(H,32,34)/t14-,19?,20?/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))	BDBM320045 (3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O2S/c1-13-9-29-22(36-13)16-6-15(7-18(8-16)35-20-4-5-33(3)12-19(20)25)21(34)32-14(2)17-10-30-23(31-11-17)24(26,27)28/h6-11,14,19-20H,4-5,12H2,1-3H3,(H,32,34)/t14-,19?,20?/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	46	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))	BDBM320045 (3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O2S/c1-13-9-29-22(36-13)16-6-15(7-18(8-16)35-20-4-5-33(3)12-19(20)25)21(34)32-14(2)17-10-30-23(31-11-17)24(26,27)28/h6-11,14,19-20H,4-5,12H2,1-3H3,(H,32,34)/t14-,19?,20?/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))	BDBM320045 (3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...) Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O2S/c1-13-9-29-22(36-13)16-6-15(7-18(8-16)35-20-4-5-33(3)12-19(20)25)21(34)32-14(2)17-10-30-23(31-11-17)24(26,27)28/h6-11,14,19-20H,4-5,12H2,1-3H3,(H,32,34)/t14-,19?,20?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	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