BDBM50269747 CHEMBL465615::hyrtenone A

SMILES: CO[C@H]1C[C@@]2(O)[C@@H](O1)C1=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC1=CC2=O

InChI Key: InChIKey=CMULOZRGTMXKCI-YIKRVMLOSA-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 = 50269747   

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))	BDBM50269747 (CHEMBL465615 | hyrtenone A) Show SMILES CO[C@H]1C[C@@]2(O)[C@@H](O1)C1=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC1=CC2=O |r,c:29,t:9| Show InChI InChI=1S/C24H34O5/c1-21(2)8-6-9-22(3)16(21)7-10-23(4)17(22)11-14-15(29-23)12-18(25)24(26)13-19(27-5)28-20(14)24/h11-12,16-17,19-20,26H,6-10,13H2,1-5H3/t16-,17+,19+,20-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+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 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
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50269747 (CHEMBL465615 | hyrtenone A) Show SMILES CO[C@H]1C[C@@]2(O)[C@@H](O1)C1=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC1=CC2=O |r,c:29,t:9| Show InChI InChI=1S/C24H34O5/c1-21(2)8-6-9-22(3)16(21)7-10-23(4)17(22)11-14-15(29-23)12-18(25)24(26)13-19(27-5)28-20(14)24/h11-12,16-17,19-20,26H,6-10,13H2,1-5H3/t16-,17+,19+,20-,22-,23-,24-/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	5.90E+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 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