BDBM50401192 CHEMBL418973

SMILES: CCCCCCCCCCCCCCOc1cccc(O)c1C(O)=O

InChI Key: InChIKey=COUQHIRIFUVLDU-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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 1 hit for monomerid = 50401192   

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
Lipoxygenase-1 (Glycine max (soybean))	BDBM50401192 (CHEMBL418973) Show SMILES CCCCCCCCCCCCCCOc1cccc(O)c1C(O)=O Show InChI InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Groningen Research Institute of Pharmacy Curated by ChEMBL					Assay Description Inhibition of soyabean lipoxygenase-1 assessed as formation of 13-HPOD from linolenic acid preincubated for 10 mins measured by real-time spectrophot...				Bioorg Med Chem 20: 5027-32 (2012) Article DOI: 10.1016/j.bmc.2012.06.019 BindingDB Entry DOI: 10.7270/Q20R9QJG
					More data for this Ligand-Target Pair