BDBM50401193 CHEMBL1934604

SMILES: CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1

InChI Key: InChIKey=VOVCJHQNRBIKOU-UHFFFAOYSA-N

Data: 2 KI  1 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 = 50401193   

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))	BDBM50401193 (CHEMBL1934604) Show SMILES CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1 Show InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)12-13-18-14-19(23)15-20(24)21(18)22(25)26/h8-11,14-15,23-24H,2-7,12-13H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80E+3	n/a	n/a	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 inhibition constant for enzyme-inhibitor complex by Lineweaver-Burk plot				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
Lipoxygenase-1 (Glycine max (soybean))	BDBM50401193 (CHEMBL1934604) Show SMILES CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1 Show InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)12-13-18-14-19(23)15-20(24)21(18)22(25)26/h8-11,14-15,23-24H,2-7,12-13H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+4	n/a	n/a	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 inhibition constant for enzyme-substrate-inhibitor complex by Lineweaver-Burk plot				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
Lipoxygenase-1 (Glycine max (soybean))	BDBM50401193 (CHEMBL1934604) Show SMILES CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1 Show InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)12-13-18-14-19(23)15-20(24)21(18)22(25)26/h8-11,14-15,23-24H,2-7,12-13H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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