BDBM319834 3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide::US10174016, Example 1::US10202369, Example 1::US10472354, Example 1

SMILES: C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=KPIHUQDIFGXEHA-CYBMUJFWSA-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 = 319834   

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))	BDBM319834 (3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/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))	BDBM319834 (3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	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))	BDBM319834 (3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/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))	BDBM319834 (3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/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	76	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))	BDBM319834 (3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/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))	BDBM319834 (3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/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	76	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))	BDBM319834 (3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/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))	BDBM319834 (3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...) Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2S/c1-12-8-26-20(32-12)16-5-15(6-18(7-16)31-11-14-3-4-14)19(30)29-13(2)17-9-27-21(28-10-17)22(23,24)25/h5-10,13-14H,3-4,11H2,1-2H3,(H,29,30)/t13-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	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