BDBM50311427 9-Ethoxymethyl-4-methyl-9-pyrolidinylmethyl-8, 9-dihydro-pyrano[2,3-f]chromene-2,10-dione::CHEMBL1080228

SMILES: CCOCC1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O

InChI Key: InChIKey=CKPMOWXBASFJMZ-UHFFFAOYSA-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 = 50311427   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50311427 (9-Ethoxymethyl-4-methyl-9-pyrolidinylmethyl-8, 9-d...) Show SMILES CCOCC1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O Show InChI InChI=1S/C21H25NO5/c1-3-25-12-21(11-22-8-4-5-9-22)13-26-16-7-6-15-14(2)10-17(23)27-19(15)18(16)20(21)24/h6-7,10H,3-5,8-9,11-13H2,1-2H3	PDB MMDB NCI pathway 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	8.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 19: 6447-51 (2009) Article DOI: 10.1016/j.bmcl.2009.09.031 BindingDB Entry DOI: 10.7270/Q2930T8Z
					More data for this Ligand-Target Pair