BDBM50017116 5,6-Dimethoxy-3,3a,8,8a-tetrahydro-1H-1-aza-cyclopenta[a]inden-2-one::CHEMBL36196

SMILES: COc1cc2CC3NC(=O)C[C@@H]3c2cc1OC

InChI Key: InChIKey=OBOBUYASCUAVAV-YHMJZVADSA-N

Data: 3 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 3 hits for monomerid = 50017116   

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 5A (Bos taurus)	BDBM50017116 (5,6-Dimethoxy-3,3a,8,8a-tetrahydro-1H-1-aza-cyclop...) Show SMILES COc1cc2CC3NC(=O)C[C@@H]3c2cc1OC Show InChI InChI=1S/C13H15NO3/c1-16-11-4-7-3-10-9(6-13(15)14-10)8(7)5-12(11)17-2/h4-5,9-10H,3,6H2,1-2H3,(H,14,15)/t9-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.				J Med Chem 32: 1450-7 (1989) BindingDB Entry DOI: 10.7270/Q2DN441H
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50017116 (5,6-Dimethoxy-3,3a,8,8a-tetrahydro-1H-1-aza-cyclop...) Show SMILES COc1cc2CC3NC(=O)C[C@@H]3c2cc1OC Show InChI InChI=1S/C13H15NO3/c1-16-11-4-7-3-10-9(6-13(15)14-10)8(7)5-12(11)17-2/h4-5,9-10H,3,6H2,1-2H3,(H,14,15)/t9-,10?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cAMP for cAMP-PDE.				J Med Chem 32: 1450-7 (1989) BindingDB Entry DOI: 10.7270/Q2DN441H
					More data for this Ligand-Target Pair
Phosphodiesterase 1 (Bos taurus-BOVINE)	BDBM50017116 (5,6-Dimethoxy-3,3a,8,8a-tetrahydro-1H-1-aza-cyclop...) Show SMILES COc1cc2CC3NC(=O)C[C@@H]3c2cc1OC Show InChI InChI=1S/C13H15NO3/c1-16-11-4-7-3-10-9(6-13(15)14-10)8(7)5-12(11)17-2/h4-5,9-10H,3,6H2,1-2H3,(H,14,15)/t9-,10?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Inhibitory activity against cAMP phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP in the presence of calcium (10 uM) and ca...				J Med Chem 32: 1450-7 (1989) BindingDB Entry DOI: 10.7270/Q2DN441H
					More data for this Ligand-Target Pair