Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 beta' and Ligand = 'BDBM398240'   

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))	BDBM398240 ((S)-4-chloro-1-((4,4-difluoro-1-methylpyrrolidin-2...) Show SMILES CN1CC(F)(F)C[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r| Show InChI InChI=1S/C22H26ClF4N3O/c1-29-13-22(26,27)9-15(29)11-30-12-16(19-17(23)3-2-4-18(19)30)20(31)28-10-14-5-7-21(24,25)8-6-14/h2-4,12,14-15H,5-11,13H2,1H3,(H,28,31)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	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) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398240 ((S)-4-chloro-1-((4,4-difluoro-1-methylpyrrolidin-2...) Show SMILES CN1CC(F)(F)C[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r| Show InChI InChI=1S/C22H26ClF4N3O/c1-29-13-22(26,27)9-15(29)11-30-12-16(19-17(23)3-2-4-18(19)30)20(31)28-10-14-5-7-21(24,25)8-6-14/h2-4,12,14-15H,5-11,13H2,1H3,(H,28,31)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	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