BDBM50052596 3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionic acid methyl ester::CHEMBL88935

SMILES: COC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=GHTLZEXBRLQMFS-UHFFFAOYSA-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 = 50052596   

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
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50052596 (3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...) Show SMILES COC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H19NO6/c1-25-16-9-8-12(10-17(16)26-2)15(11-18(22)27-3)21-19(23)13-6-4-5-7-14(13)20(21)24/h4-10,15H,11H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of PDE4 enzyme from U937 cells				Bioorg Med Chem Lett 8: 2669-74 (1998) BindingDB Entry DOI: 10.7270/Q2BK1FJH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50052596 (3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...) Show SMILES COC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H19NO6/c1-25-16-9-8-12(10-17(16)26-2)15(11-18(22)27-3)21-19(23)13-6-4-5-7-14(13)20(21)24/h4-10,15H,11H2,1-3H3	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of TNF-alpha production in LPS stimulated human PBMCs				J Med Chem 39: 3238-40 (1996) Article DOI: 10.1021/jm9603328 BindingDB Entry DOI: 10.7270/Q2V40T9Q
					More data for this Ligand-Target Pair