BDBM50134133 (5R,6R)-6-Benzo[1,3]dioxol-5-yl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione::CHEMBL342008

SMILES: O=C1CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1

InChI Key: InChIKey=XHDLVMPUSXRZOS-FOIQADDNSA-N

Data: 2 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 2 hits for monomerid = 50134133   

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)	BDBM50134133 ((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2,3,6,7,12,12a-hex...) Show SMILES O=C1CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine phosphodiesterase 5				J Med Chem 46: 4533-42 (2003) Article DOI: 10.1021/jm0300577 BindingDB Entry DOI: 10.7270/Q2N015X2
					More data for this Ligand-Target Pair
Phosphodiesterase 5A (Bos taurus)	BDBM50134133 ((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2,3,6,7,12,12a-hex...) Show SMILES O=C1CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine phosphodiesterase 5				J Med Chem 46: 4533-42 (2003) Article DOI: 10.1021/jm0300577 BindingDB Entry DOI: 10.7270/Q2N015X2
					More data for this Ligand-Target Pair