BDBM50292593 3-oxolanosta-8,24-dien-21-oic acid 21-O-beta-D-xylopyranoside::CHEMBL510510

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@H](-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]1-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

InChI Key: InChIKey=FTPANSKMWIDRLL-QDVPQEPLSA-N

Data: 2 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 2 hits for monomerid = 50292593   

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))	BDBM50292593 (3-oxolanosta-8,24-dien-21-oic acid 21-O-beta-D-xyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@H](-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]1-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,c:12| Show InChI InChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(40)42-31-29(39)28(38)25(36)19-41-31)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38-39H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31+,33-,34-,35+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.11E+6	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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50292593 (3-oxolanosta-8,24-dien-21-oic acid 21-O-beta-D-xyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@H](-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]1-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,c:12| Show InChI InChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(40)42-31-29(39)28(38)25(36)19-41-31)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38-39H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31+,33-,34-,35+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+6	n/a	n/a	n/a	n/a	n/a	n/a
Tokushima Bunri University Curated by ChEMBL					Assay Description Inhibition of COX1 from ram seminal vesicles 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