Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 beta' and Ligand = 'BDBM398110'   

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))	BDBM398110 (4-chloro-1-(oxetan-3-yl)-N-((4-(4-phenylpiperazin-...) Show SMILES Clc1cccc2n(cc(C(=O)NCC3(CCOCC3)N3CCN(CC3)c3ccccc3)c12)C1COC1 Show InChI InChI=1S/C28H33ClN4O3/c29-24-7-4-8-25-26(24)23(17-33(25)22-18-36-19-22)27(34)30-20-28(9-15-35-16-10-28)32-13-11-31(12-14-32)21-5-2-1-3-6-21/h1-8,17,22H,9-16,18-20H2,(H,30,34)	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) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398110 (4-chloro-1-(oxetan-3-yl)-N-((4-(4-phenylpiperazin-...) Show SMILES Clc1cccc2n(cc(C(=O)NCC3(CCOCC3)N3CCN(CC3)c3ccccc3)c12)C1COC1 Show InChI InChI=1S/C28H33ClN4O3/c29-24-7-4-8-25-26(24)23(17-33(25)22-18-36-19-22)27(34)30-20-28(9-15-35-16-10-28)32-13-11-31(12-14-32)21-5-2-1-3-6-21/h1-8,17,22H,9-16,18-20H2,(H,30,34)	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