BDBM50240865 (4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramethyl-1,2,3,4,4a,5,6,6a,12a,12b-decahydro-benzo[a]xanthen-9-one::CHEMBL157844::PUUPEHENONE

SMILES: CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21

InChI Key: InChIKey=OHNKHVXVPKMGCI-YHELAOLJSA-N

Data: 6 IC50  1 EC50

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 7 hits for monomerid = 50240865   

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
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of California Santa Cruz Curated by ChEMBL					Assay Description Inhibition of His-tagged human reticulocyte 15-lipoxygenase				J Nat Prod 66: 230-5 (2003) Article DOI: 10.1021/np020462l BindingDB Entry DOI: 10.7270/Q25X29TQ
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Santa Cruz Curated by ChEMBL					Assay Description Inhibition of His-tagged human platelet 12-lipoxygenase				J Nat Prod 66: 230-5 (2003) Article DOI: 10.1021/np020462l BindingDB Entry DOI: 10.7270/Q25X29TQ
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	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 15-lipoxygenase (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	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
endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair