BDBM50054046 (E)-6-(4-Hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid::CHEMBL131696

SMILES: C\C(CCC(O)=O)=C/Cc1cc(C)c2COC(=O)c2c1O

InChI Key: InChIKey=AXPFPYZPCCJJLA-YCRREMRBSA-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 = 50054046   

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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50054046 ((E)-6-(4-Hydroxy-7-methyl-3-oxo-1,3-dihydro-isoben...) Show SMILES C\C(CCC(O)=O)=C/Cc1cc(C)c2COC(=O)c2c1O Show InChI InChI=1S/C16H18O5/c1-9(4-6-13(17)18)3-5-11-7-10(2)12-8-21-16(20)14(12)15(11)19/h3,7,19H,4-6,8H2,1-2H3,(H,17,18)/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.96E+3	n/a	n/a	n/a	n/a	8.0	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0				J Med Chem 39: 4181-96 (1996) Article DOI: 10.1021/jm9603633 BindingDB Entry DOI: 10.7270/Q2668C8Q
					More data for this Ligand-Target Pair