BDBM320210 3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylmorpholin- 2-yl]methoxy}-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide::US10174016, Example 377::US10202369, Example 377::US10472354, Example 377

SMILES: CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=PEGAFCGSQABLTK-FOIQADDNSA-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 = 320210   

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))	BDBM320210 (3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/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))	BDBM320210 (3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	273	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))	BDBM320210 (3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/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
P2X2/3 (Homo sapiens (Human))	BDBM320210 (3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,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	273	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))	BDBM320210 (3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/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))	BDBM320210 (3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,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	273	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))	BDBM320210 (3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/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 2 (Homo sapiens (Human))	BDBM320210 (3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	273	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