BDBM50320447 CHEMBL1164369::isojaspic acid

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12

InChI Key: InChIKey=IIMZFSAVKIVVHG-PPKJMBTNSA-N

Data: 5 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 5 hits for monomerid = 50320447   

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))	BDBM50320447 (CHEMBL1164369 | isojaspic acid) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27| Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+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 12-lipoxygenase				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))	BDBM50320447 (CHEMBL1164369 | isojaspic acid) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27| Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/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	5.30E+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 15-lipoxygenase				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))	BDBM50320447 (CHEMBL1164369 | isojaspic acid) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27| Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/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	1.80E+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 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
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50320447 (CHEMBL1164369 | isojaspic acid) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27| Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+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))	BDBM50320447 (CHEMBL1164369 | isojaspic acid) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27| Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/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	1.60E+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 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