BDBM50320453 15-Oxo-puupehenoic Acid::CHEMBL1165243

SMILES: CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(O)=O)c3C(=O)[C@H]21

InChI Key: InChIKey=BRJRCUMHFKMNEZ-XSLZUNGDSA-N

Data: 3 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 3 hits for monomerid = 50320453   

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
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50320453 (15-Oxo-puupehenoic Acid | CHEMBL1165243) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(O)=O)c3C(=O)[C@H]21 |r| Show InChI InChI=1S/C22H28O4/c1-20(2)10-6-11-21(3)15(20)9-12-22(4)18(21)17(23)16-13(19(24)25)7-5-8-14(16)26-22/h5,7-8,15,18H,6,9-12H2,1-4H3,(H,24,25)/t15-,18+,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Santa Cruz Curated by ChEMBL					Assay Description Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry				J Nat Prod 72: 1857-63 (2009) Article DOI: 10.1021/np900465e BindingDB Entry DOI: 10.7270/Q2DB82TD
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50320453 (15-Oxo-puupehenoic Acid | CHEMBL1165243) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(O)=O)c3C(=O)[C@H]21 |r| Show InChI InChI=1S/C22H28O4/c1-20(2)10-6-11-21(3)15(20)9-12-22(4)18(21)17(23)16-13(19(24)25)7-5-8-14(16)26-22/h5,7-8,15,18H,6,9-12H2,1-4H3,(H,24,25)/t15-,18+,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Santa Cruz Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry				J Nat Prod 72: 1857-63 (2009) Article DOI: 10.1021/np900465e BindingDB Entry DOI: 10.7270/Q2DB82TD
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50320453 (15-Oxo-puupehenoic Acid | CHEMBL1165243) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(O)=O)c3C(=O)[C@H]21 |r| Show InChI InChI=1S/C22H28O4/c1-20(2)10-6-11-21(3)15(20)9-12-22(4)18(21)17(23)16-13(19(24)25)7-5-8-14(16)26-22/h5,7-8,15,18H,6,9-12H2,1-4H3,(H,24,25)/t15-,18+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Santa Cruz Curated by ChEMBL					Assay Description Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry				J Nat Prod 72: 1857-63 (2009) Article DOI: 10.1021/np900465e BindingDB Entry DOI: 10.7270/Q2DB82TD
					More data for this Ligand-Target Pair