BDBM68540 5-hydroxy-7-methyl-4-propyl-6-(1-pyrrolidinylmethyl)-1-benzopyran-2-one::5-hydroxy-7-methyl-4-propyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one::5-hydroxy-7-methyl-4-propyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one::5-hydroxy-7-methyl-4-propyl-6-(pyrrolidinomethyl)coumarin::7-methyl-5-oxidanyl-4-propyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one::MLS000050586::SMR000076563::cid_5422140

SMILES: CCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12

InChI Key: InChIKey=GTTHEKSDBORJDR-UHFFFAOYSA-N

Data: 2 EC50

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 = 68540   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM68540 (5-hydroxy-7-methyl-4-propyl-6-(1-pyrrolidinylmethy...) Show SMILES CCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12 Show InChI InChI=1S/C18H23NO3/c1-3-6-13-10-16(20)22-15-9-12(2)14(18(21)17(13)15)11-19-7-4-5-8-19/h9-10,21H,3-8,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM68540 (5-hydroxy-7-methyl-4-propyl-6-(1-pyrrolidinylmethy...) Show SMILES CCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12 Show InChI InChI=1S/C18H23NO3/c1-3-6-13-10-16(20)22-15-9-12(2)14(18(21)17(13)15)11-19-7-4-5-8-19/h9-10,21H,3-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.60E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair