BDBM50122979 3-Benzo[1,3]dioxol-5-yl-2-benzoyl-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one::CHEMBL344366

SMILES: Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccccc1

InChI Key: InChIKey=AFXANIIGPDJVPQ-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50122979   

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))	BDBM50122979 (3-Benzo[1,3]dioxol-5-yl-2-benzoyl-1,2,3,4-tetrahyd...) Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H18N2O4/c28-24-17-8-4-5-9-19(17)26-22-18(24)13-27(25(29)15-6-2-1-3-7-15)23(22)16-10-11-20-21(12-16)31-14-30-20/h1-12,23H,13-14H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated				J Med Chem 46: 441-4 (2003) Article DOI: 10.1021/jm0202573 BindingDB Entry DOI: 10.7270/Q2QR4WHQ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50122979 (3-Benzo[1,3]dioxol-5-yl-2-benzoyl-1,2,3,4-tetrahyd...) Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H18N2O4/c28-24-17-8-4-5-9-19(17)26-22-18(24)13-27(25(29)15-6-2-1-3-7-15)23(22)16-10-11-20-21(12-16)31-14-30-20/h1-12,23H,13-14H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Inhibitory activity against human Phosphodiesterase 5				J Med Chem 47: 656-62 (2004) Article DOI: 10.1021/jm020521s BindingDB Entry DOI: 10.7270/Q228070W
					More data for this Ligand-Target Pair