BDBM50024789 CHEMBL3337698

SMILES: CCCOc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1

InChI Key: InChIKey=VCXCZBZDGUJEIX-FMIVXFBMSA-N

Data: 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 1 hit for monomerid = 50024789   

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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50024789 (CHEMBL3337698) Show SMILES CCCOc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1 Show InChI InChI=1S/C21H22O5/c1-2-14-25-19-15-17(9-12-20(22)23)8-11-18(19)26-21(24)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,2,10,13-14H2,1H3,(H,22,23)/b12-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay				Bioorg Med Chem 22: 5220-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.007 BindingDB Entry DOI: 10.7270/Q28P623F
					More data for this Ligand-Target Pair