Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 beta' and Ligand = 'BDBM398226'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interleukin-1 beta (Homo sapiens (Human))	BDBM398226 (Preparations of 4-chloro-N-((4,4-difluoro-1-hydrox...) Show SMILES OC1(CNC(=O)c2cn(CC3CCCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1 Show InChI InChI=1S/C22H27ClF2N2O3/c23-17-5-3-6-18-19(17)16(13-27(18)12-15-4-1-2-11-30-15)20(28)26-14-21(29)7-9-22(24,25)10-8-21/h3,5-6,13,15,29H,1-2,4,7-12,14H2,(H,26,28)	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