null

SMILES: OC1(CNC(=O)c2cn(CC3CNC3)c3cccc(Cl)c23)CCCC(F)(F)C1

InChI Key: InChIKey=ZRXFLXAGQMMESA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 398188   

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))	BDBM398188 (1-(azetidin-4-ylmethyl)-4-chloro-N-((3,3-difluoro-...) Show SMILES OC1(CNC(=O)c2cn(CC3CNC3)c3cccc(Cl)c23)CCCC(F)(F)C1 Show InChI InChI=1S/C20H24ClF2N3O2/c21-15-3-1-4-16-17(15)14(10-26(16)9-13-7-24-8-13)18(27)25-12-19(28)5-2-6-20(22,23)11-19/h1,3-4,10,13,24,28H,2,5-9,11-12H2,(H,25,27)	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))	BDBM398188 (1-(azetidin-4-ylmethyl)-4-chloro-N-((3,3-difluoro-...) Show SMILES OC1(CNC(=O)c2cn(CC3CNC3)c3cccc(Cl)c23)CCCC(F)(F)C1 Show InChI InChI=1S/C20H24ClF2N3O2/c21-15-3-1-4-16-17(15)14(10-26(16)9-13-7-24-8-13)18(27)25-12-19(28)5-2-6-20(22,23)11-19/h1,3-4,10,13,24,28H,2,5-9,11-12H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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))	BDBM398188 (1-(azetidin-4-ylmethyl)-4-chloro-N-((3,3-difluoro-...) Show SMILES OC1(CNC(=O)c2cn(CC3CNC3)c3cccc(Cl)c23)CCCC(F)(F)C1 Show InChI InChI=1S/C20H24ClF2N3O2/c21-15-3-1-4-16-17(15)14(10-26(16)9-13-7-24-8-13)18(27)25-12-19(28)5-2-6-20(22,23)11-19/h1,3-4,10,13,24,28H,2,5-9,11-12H2,(H,25,27)	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))	BDBM398188 (1-(azetidin-4-ylmethyl)-4-chloro-N-((3,3-difluoro-...) Show SMILES OC1(CNC(=O)c2cn(CC3CNC3)c3cccc(Cl)c23)CCCC(F)(F)C1 Show InChI InChI=1S/C20H24ClF2N3O2/c21-15-3-1-4-16-17(15)14(10-26(16)9-13-7-24-8-13)18(27)25-12-19(28)5-2-6-20(22,23)11-19/h1,3-4,10,13,24,28H,2,5-9,11-12H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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