BDBM50241571 CHEMBL485981::buddledin A

SMILES: CC(=O)O[C@@H]1[C@@H]2[C@H](CC2(C)C)C(=C)CCC=C(C)C1=O

InChI Key: InChIKey=SXWKLEULMBLXJM-IJEWVQPXSA-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 = 50241571   

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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50241571 (CHEMBL485981 | buddledin A) Show SMILES CC(=O)O[C@@H]1[C@@H]2[C@H](CC2(C)C)C(=C)CCC=C(C)C1=O |r,w:15.15| Show InChI InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/t13-,14+,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50241571 (CHEMBL485981 | buddledin A) Show SMILES CC(=O)O[C@@H]1[C@@H]2[C@H](CC2(C)C)C(=C)CCC=C(C)C1=O |r,w:15.15| Show InChI InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/t13-,14+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in Wistar rat peritoneal leukocytes				J Nat Prod 62: 1241-5 (1999) BindingDB Entry DOI: 10.7270/Q27H1JCW
					More data for this Ligand-Target Pair