BDBM50399911 CHEMBL2180955

SMILES: CCCOc1ccc(cc1-c1nc2CCCc2c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=GVJMOYXLONOQAI-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 = 50399911   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50399911 (CHEMBL2180955) Show SMILES CCCOc1ccc(cc1-c1nc2CCCc2c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H28N4O4S/c1-3-13-29-19-8-7-15(30(27,28)25-11-9-24(2)10-12-25)14-17(19)20-22-18-6-4-5-16(18)21(26)23-20/h7-8,14H,3-6,9-13H2,1-2H3,(H,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A by [3H]cGMP based tritium scintillation proximity assay				J Med Chem 55: 10540-50 (2012) Article DOI: 10.1021/jm301159y BindingDB Entry DOI: 10.7270/Q2154J6G
					More data for this Ligand-Target Pair				3D Structure (crystal)