BDBM222275 5-(4-Chloro-phenyl)-4[2-(4-chloro-phenyl)-2-oxo-ethyl]-2-methyl-furan-3-carboxylic acid ethyl ester (3h)

SMILES: CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1

InChI Key: InChIKey=IRMAANXYEHPFMT-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 222275   

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 (SLO) (Glycine max (Soybean))	BDBM222275 (5-(4-Chloro-phenyl)-4[2-(4-chloro-phenyl)-2-oxo-et...) Show SMILES CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl2O4/c1-3-27-22(26)20-13(2)28-21(15-6-10-17(24)11-7-15)18(20)12-19(25)14-4-8-16(23)9-5-14/h4-11H,3,12H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR - Indian Institute of Chemical Biology					Assay Description The crystal structure of soybean lipoxygenase-1 (PDB code: 3PZW), was used in our docking experiments. The 3D structure of 3PZW was reported by Chrus...				Bioorg Chem 71: 97-101 (2017) Article DOI: 10.1016/j.bioorg.2017.01.016 BindingDB Entry DOI: 10.7270/Q2F76BCD
					More data for this Ligand-Target Pair
Lipoxygenase-1 (Glycine max (soybean))	BDBM222275 (5-(4-Chloro-phenyl)-4[2-(4-chloro-phenyl)-2-oxo-et...) Show SMILES CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl2O4/c1-3-27-22(26)20-13(2)28-21(15-6-10-17(24)11-7-15)18(20)12-19(25)14-4-8-16(23)9-5-14/h4-11H,3,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	8.0	n/a
CSIR - Indian Institute of Chemical Biology					Assay Description SLO inhibition was studied by spectrophotometric assay by measuring the change in the absorbance at 234 nm due to formation of hydroperoxylinoleic ac...				Bioorg Chem 71: 97-101 (2017) Article DOI: 10.1016/j.bioorg.2017.01.016 BindingDB Entry DOI: 10.7270/Q2F76BCD
					More data for this Ligand-Target Pair