BDBM50005032 CHEMBL1915516

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

InChI Key: InChIKey=AFKWCGKAOQNLTO-UHFFFAOYSA-N

Data: 1 Kd

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 = 50005032   

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))	BDBM50005032 (CHEMBL1915516) Show SMILES CCCOc1ccc(cc1-c1nc(CC)cc(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C20H28N4O4S/c1-4-12-28-18-7-6-16(29(26,27)24-10-8-23(3)9-11-24)14-17(18)20-21-15(5-2)13-19(25)22-20/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences (CAS) Curated by ChEMBL					Assay Description Binding affinity to recombinant PDE5 catalytic domain (unknown origin) by ITC analysis				J Med Chem 57: 3588-93 (2014) Article DOI: 10.1021/jm5002315 BindingDB Entry DOI: 10.7270/Q24Q7WH7
					More data for this Ligand-Target Pair				3D Structure (crystal)