BDBM50252375 CHEMBL446072::Spheciosterol sulfate C

SMILES: C[C@H](CCC(C)C(C)(C)C(C)=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

InChI Key: InChIKey=DETNYAODLCRBJF-PJLURTLWSA-K

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50252375   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50252375 (CHEMBL446072 | Spheciosterol sulfate C) Show SMILES C[C@H](CCC(C)C(C)(C)C(C)=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 |r,c:40| Show InChI InChI=1S/C32H54O13S3/c1-18(2)29(5,6)20(4)11-10-19(3)21-12-14-32(9)23-16-24(43-46(34,35)36)26-27(33)28(45-48(40,41)42)25(44-47(37,38)39)17-30(26,7)22(23)13-15-31(21,32)8/h13,19-21,23-28,33H,1,10-12,14-17H2,2-9H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,30-,31-,32+/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
					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM50252375 (CHEMBL446072 | Spheciosterol sulfate C) Show SMILES C[C@H](CCC(C)C(C)(C)C(C)=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 |r,c:40| Show InChI InChI=1S/C32H54O13S3/c1-18(2)29(5,6)20(4)11-10-19(3)21-12-14-32(9)23-16-24(43-46(34,35)36)26-27(33)28(45-48(40,41)42)25(44-47(37,38)39)17-30(26,7)22(23)13-15-31(21,32)8/h13,19-21,23-28,33H,1,10-12,14-17H2,2-9H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,30-,31-,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair