BDBM50229794 CHEMBL90176

SMILES: CC(C)CN1CCN(CC1)C(=O)CCCOc1ccc2[nH]c3nc(O)nc3cc2c1

InChI Key: InChIKey=RZJZOCXUKKUZIW-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 = 50229794   

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 3 (Homo sapiens (Human))	BDBM50229794 (CHEMBL90176) Show SMILES CC(C)CN1CCN(CC1)C(=O)CCCOc1ccc2[nH]c3nc(O)nc3cc2c1 Show InChI InChI=1S/C22H29N5O3/c1-15(2)14-26-7-9-27(10-8-26)20(28)4-3-11-30-17-5-6-18-16(12-17)13-19-21(23-18)25-22(29)24-19/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3,(H2,23,24,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human platelet c-AMP phosphodiesterase PDE 3				J Med Chem 35: 2688-96 (1992) BindingDB Entry DOI: 10.7270/Q2PN97WB
					More data for this Ligand-Target Pair