BDBM50241945 Atractylenolide III::CHEMBL486961

SMILES: CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O

InChI Key: InChIKey=FBMORZZOJSDNRQ-GLQYFDAESA-N

Data: 6 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 6 hits for monomerid = 50241945   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50241945 (Atractylenolide III | CHEMBL486961) Show SMILES CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |r,c:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universität Düsseldorf Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase				J Nat Prod 61: 347-50 (1998) Article DOI: 10.1021/np970430b BindingDB Entry DOI: 10.7270/Q2PN95D7
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50241945 (Atractylenolide III | CHEMBL486961) Show SMILES CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |r,c:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universität Düsseldorf Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 61: 347-50 (1998) Article DOI: 10.1021/np970430b BindingDB Entry DOI: 10.7270/Q2PN95D7
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50241945 (Atractylenolide III | CHEMBL486961) Show SMILES CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |r,c:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of human SOAT2-mediated [14C]Cholesterol ester biosynthesis in CHO microsomal fraction after 5 mins in presence of [1-14C]oleoyl-CoA by TL...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50241945 (Atractylenolide III | CHEMBL486961) Show SMILES CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |r,c:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of human SOAT2-mediated [14C]Cholesterol ester synthesis in CHO cells after 6 hrs in presence of [14C]Oleic acid by TLC analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50241945 (Atractylenolide III | CHEMBL486961) Show SMILES CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |r,c:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of human SOAT1-mediated [14C]Cholesterol ester biosynthesis in CHO microsomal fraction after 5 mins in presence of [1-14C]oleoyl-CoA by TL...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50241945 (Atractylenolide III | CHEMBL486961) Show SMILES CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |r,c:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of human SOAT1 mediated [14C]Cholesterol ester synthesis in CHO cells after 6 hrs in presence of [14C]Oleic acid by TLC analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair