BDBM50331098 6-(4-acetoxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid::CHEMBL238403

SMILES: COc1c(C)c2COC(=O)c2c(OC(C)=O)c1C\C=C(/C)CCC(O)=O

InChI Key: InChIKey=TUJRTZFYNVKYNJ-BJMVGYQFSA-N

Data: 2 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 = 50331098   

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))	BDBM50331098 (6-(4-acetoxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroi...) Show SMILES COc1c(C)c2COC(=O)c2c(OC(C)=O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C19H22O7/c1-10(6-8-15(21)22)5-7-13-17(24-4)11(2)14-9-25-19(23)16(14)18(13)26-12(3)20/h5H,6-9H2,1-4H3,(H,21,22)/b10-5+	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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 expressed in Escherichia coli strain BL21(DE3) after 60 mins				Bioorg Med Chem 18: 8106-11 (2010) Article DOI: 10.1016/j.bmc.2010.09.004 BindingDB Entry DOI: 10.7270/Q2Q52PWJ
					More data for this Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) (Homo sapiens (Human))	BDBM50331098 (6-(4-acetoxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroi...) Show SMILES COc1c(C)c2COC(=O)c2c(OC(C)=O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C19H22O7/c1-10(6-8-15(21)22)5-7-13-17(24-4)11(2)14-9-25-19(23)16(14)18(13)26-12(3)20/h5H,6-9H2,1-4H3,(H,21,22)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 mins				Bioorg Med Chem 18: 8106-11 (2010) Article DOI: 10.1016/j.bmc.2010.09.004 BindingDB Entry DOI: 10.7270/Q2Q52PWJ
					More data for this Ligand-Target Pair