Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcription factor p65' and Ligand = 'BDBM50252374'   

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
Transcription factor p65 (Homo sapiens (Human))	BDBM50252374 (CHEMBL475118 | Spheciosterol sulfate B) Show SMILES CC(C)C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:36| Show InChI InChI=1S/C31H52O13S3/c1-17(2)20(18(3)4)10-9-19(5)21-11-13-31(8)23-15-24(42-45(33,34)35)26-27(32)28(44-47(39,40)41)25(43-46(36,37)38)16-29(26,6)22(23)12-14-30(21,31)7/h12,18-21,23-28,32H,1,9-11,13-16H2,2-8H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,29-,30-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
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