BDBM50292595 25-hydroxy-3alpha-acetoxylanost-8-en-21-oicacid 21-O-beta-D-xylopyranoside::CHEMBL447689

SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C2CC[C@]2(C)[C@H](CC[C@@]32C)[C@@H](C\C=C\C(C)(C)O)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1(C)C

InChI Key: InChIKey=SZJHDEBBAHZWAS-JYUDEBFNSA-N

Data: 1 IC50

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 1 hit for monomerid = 50292595   

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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50292595 (25-hydroxy-3alpha-acetoxylanost-8-en-21-oicacid 21...) Show SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C2CC[C@]2(C)[C@H](CC[C@@]32C)[C@@H](C\C=C\C(C)(C)O)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1(C)C |r,c:12| Show InChI InChI=1S/C37H58O9/c1-21(38)45-28-15-17-35(6)24-14-19-36(7)23(13-18-37(36,8)25(24)11-12-27(35)34(28,4)5)22(10-9-16-33(2,3)43)31(42)46-32-30(41)29(40)26(39)20-44-32/h9,16,22-23,26-30,32,39-41,43H,10-15,17-20H2,1-8H3/b16-9+/t22-,23-,26-,27+,28-,29+,30-,32+,35-,36-,37+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Tokushima Bunri University Curated by ChEMBL					Assay Description Inhibition of sheep placental COX2 by liquid scintillation counter				J Nat Prod 68: 69-73 (2005) Article DOI: 10.1021/np040130b BindingDB Entry DOI: 10.7270/Q2S1828J
					More data for this Ligand-Target Pair