BDBM50358828 CHEMBL1922946

SMILES: CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OCC

InChI Key: InChIKey=ZDMGIZFQKKDWAO-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50358828   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50358828 (CHEMBL1922946) Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OCC Show InChI InChI=1S/C19H22N2O5S2/c1-3-25-18(23)16-13-7-8-21(19(24)26-4-2)11-14(13)28-17(16)20-15(22)10-12-6-5-9-27-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville campus) Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay				Bioorg Med Chem Lett 21: 7089-93 (2011) Article DOI: 10.1016/j.bmcl.2011.09.109 BindingDB Entry DOI: 10.7270/Q2D21Z1F
					More data for this Ligand-Target Pair				3D Structure (crystal)