BDBM50216731 CHEMBL158848

SMILES: OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=CDCXEKYJBJBFMQ-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 = 50216731   

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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50216731 (CHEMBL158848) Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H29N5O3/c18-9-3-12-19-10-1-2-11-20-13-4-14-21-17(23)15-5-7-16(8-6-15)22(24)25/h5-8,19-20H,1-4,9-14,18H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Rennes Curated by ChEMBL					Assay Description Inhibition of calmodulin dependent phosphodiesterase				Bioorg Med Chem Lett 8: 635-40 (1998) BindingDB Entry DOI: 10.7270/Q2NV9MFT
					More data for this Ligand-Target Pair