BDBM50331099 7-Hydroxy-6-((E)-6-hydroxy-3-methyl-hex-2-enyl)-5-methoxy-4-methyl-3H-isobenzofuran-1-one::7-Hydroxy-6-[(E)-6-hydroxy-3-methylhex-2-enyl]-5-methoxy-4-methyl-3H-2-benzofuran-1-one::CHEMBL157617

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

InChI Key: InChIKey=UVPJMDATXMSXJO-UXBLZVDNSA-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 = 50331099   

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 1 (IMPDH1) (Homo sapiens (Human))	BDBM50331099 (7-Hydroxy-6-((E)-6-hydroxy-3-methyl-hex-2-enyl)-5-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCCO Show InChI InChI=1S/C17H22O5/c1-10(5-4-8-18)6-7-12-15(19)14-13(9-22-17(14)20)11(2)16(12)21-3/h6,18-19H,4-5,7-9H2,1-3H3/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	770	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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50331099 (7-Hydroxy-6-((E)-6-hydroxy-3-methyl-hex-2-enyl)-5-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCCO Show InChI InChI=1S/C17H22O5/c1-10(5-4-8-18)6-7-12-15(19)14-13(9-22-17(14)20)11(2)16(12)21-3/h6,18-19H,4-5,7-9H2,1-3H3/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	790	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