BDBM50126458 (6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-pyrrolidin-3-yl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione::CHEMBL32255

SMILES: O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1

InChI Key: InChIKey=PPJODYFRWIXBIM-PCFFTZKOSA-N

Data: 4 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 4 hits for monomerid = 50126458   

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))	BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue				Bioorg Med Chem Lett 13: 1425-8 (2003) BindingDB Entry DOI: 10.7270/Q2GM86N6
					More data for this Ligand-Target Pair				3D Structure (docked)
Phosphodiesterase 6 (Homo sapiens (Human))	BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase 6 (PDE6) obtained from canine or bovine retina				Bioorg Med Chem Lett 13: 1425-8 (2003) BindingDB Entry DOI: 10.7270/Q2GM86N6
					More data for this Ligand-Target Pair
Phosphodiesterase 5A (Bos taurus)	BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
Phosphodiesterase 11A (PDE11A) (Homo sapiens (Human))	BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression				Bioorg Med Chem Lett 13: 1425-8 (2003) BindingDB Entry DOI: 10.7270/Q2GM86N6
					More data for this Ligand-Target Pair