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SMILES: FC(F)(F)C1CC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC(F)(F)C1

InChI Key: InChIKey=BICRBLIUIWVJGT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 398155   

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 7 (Homo sapiens (Human))	BDBM398155 (4-chloro-N-((3,3-difluoro-5-(trifluoromethyl) cycl...) Show SMILES FC(F)(F)C1CC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC(F)(F)C1 Show InChI InChI=1S/C20H20ClF5N2O2/c21-15-2-1-3-16-17(15)14(8-28(16)13-9-30-10-13)18(29)27-7-11-4-12(20(24,25)26)6-19(22,23)5-11/h1-3,8,11-13H,4-7,9-10H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398155 (4-chloro-N-((3,3-difluoro-5-(trifluoromethyl) cycl...) Show SMILES FC(F)(F)C1CC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC(F)(F)C1 Show InChI InChI=1S/C20H20ClF5N2O2/c21-15-2-1-3-16-17(15)14(8-28(16)13-9-30-10-13)18(29)27-7-11-4-12(20(24,25)26)6-19(22,23)5-11/h1-3,8,11-13H,4-7,9-10H2,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				US Patent US10676433 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM398155 (4-chloro-N-((3,3-difluoro-5-(trifluoromethyl) cycl...) Show SMILES FC(F)(F)C1CC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC(F)(F)C1 Show InChI InChI=1S/C20H20ClF5N2O2/c21-15-2-1-3-16-17(15)14(8-28(16)13-9-30-10-13)18(29)27-7-11-4-12(20(24,25)26)6-19(22,23)5-11/h1-3,8,11-13H,4-7,9-10H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....				US Patent US10676433 (2020)
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398155 (4-chloro-N-((3,3-difluoro-5-(trifluoromethyl) cycl...) Show SMILES FC(F)(F)C1CC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC(F)(F)C1 Show InChI InChI=1S/C20H20ClF5N2O2/c21-15-2-1-3-16-17(15)14(8-28(16)13-9-30-10-13)18(29)27-7-11-4-12(20(24,25)26)6-19(22,23)5-11/h1-3,8,11-13H,4-7,9-10H2,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair