BDBM50399894 CHEMBL2180947

SMILES: CCCOc1ccc(cc1-c1nc(C(C)C)c(C)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=JJCOQCZLTSYGNR-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 = 50399894   

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))	BDBM50399894 (CHEMBL2180947) Show SMILES CCCOc1ccc(cc1-c1nc(C(C)C)c(C)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H32N4O4S/c1-6-13-30-19-8-7-17(31(28,29)26-11-9-25(5)10-12-26)14-18(19)21-23-20(15(2)3)16(4)22(27)24-21/h7-8,14-15H,6,9-13H2,1-5H3,(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	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