BDBM50126466 (6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-cyclopropyl-ethyl)-pyrrolidin-3-yl]-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione::CHEMBL33944

SMILES: O=C1CN([C@@H]2CCN(CCC3CC3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1

InChI Key: InChIKey=PKZJYZRNAZUWID-ZMKXSNQSSA-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 = 50126466   

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))	BDBM50126466 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-cycl...) Show SMILES O=C1CN([C@@H]2CCN(CCC3CC3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H32N4O4/c35-27-16-33(20-10-12-32(15-20)11-9-18-5-6-18)30(36)24-14-22-21-3-1-2-4-23(21)31-28(22)29(34(24)27)19-7-8-25-26(13-19)38-17-37-25/h1-4,7-8,13,18,20,24,29,31H,5-6,9-12,14-17H2/t20-,24-,29-/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	16	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))	BDBM50126466 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-cycl...) Show SMILES O=C1CN([C@@H]2CCN(CCC3CC3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H32N4O4/c35-27-16-33(20-10-12-32(15-20)11-9-18-5-6-18)30(36)24-14-22-21-3-1-2-4-23(21)31-28(22)29(34(24)27)19-7-8-25-26(13-19)38-17-37-25/h1-4,7-8,13,18,20,24,29,31H,5-6,9-12,14-17H2/t20-,24-,29-/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	2.66E+3	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 11A (Homo sapiens (Human))	BDBM50126466 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-cycl...) Show SMILES O=C1CN([C@@H]2CCN(CCC3CC3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H32N4O4/c35-27-16-33(20-10-12-32(15-20)11-9-18-5-6-18)30(36)24-14-22-21-3-1-2-4-23(21)31-28(22)29(34(24)27)19-7-8-25-26(13-19)38-17-37-25/h1-4,7-8,13,18,20,24,29,31H,5-6,9-12,14-17H2/t20-,24-,29-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	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