Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 beta' and Ligand = 'BDBM50355788'   

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))	BDBM50355788 (CHEMBL1911626) Show SMILES COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]13C)C(=O)[C@](C)(O)C2=O |r,THB:6:5:10.23.9:25.30.27| Show InChI InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA				J Nat Prod 74: 2273-7 (2011) Article DOI: 10.1021/np2003066 BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
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