BDBM322574 US10183937, Example 385::US10202369, Example 385

SMILES: C[C@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=LGPVNMAGAZJDEW-FUKCDUGKSA-N

Data: 4 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 4 hits for monomerid = 322574   

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))	BDBM322574 (US10183937, Example 385 | US10202369, Example 385) Show SMILES C[C@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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 US10183937 (2019) BindingDB Entry DOI: 10.7270/Q2028TNS
					More data for this Ligand-Target Pair
P2X2/3 (Homo sapiens (Human))	BDBM322574 (US10183937, Example 385 | US10202369, Example 385) Show SMILES C[C@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m0/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	28	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))	BDBM322574 (US10183937, Example 385 | US10202369, Example 385) Show SMILES C[C@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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 2 (Homo sapiens (Human))	BDBM322574 (US10183937, Example 385 | US10202369, Example 385) Show SMILES C[C@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	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