BDBM50134122 (3aR,10R)-10-Benzo[1,3]dioxol-5-yl-2-methyl-2,3,3a,4,9,10-hexahydro-2,9,10a-triaza-cyclopenta[b]fluoren-1-one::CHEMBL141518

SMILES: CN1C[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c1ccc2OCOc2c1

InChI Key: InChIKey=XRCYVKVHHAWYFR-ZUOKHONESA-N

Data: 1 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 1 hit for monomerid = 50134122   

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)	BDBM50134122 ((3aR,10R)-10-Benzo[1,3]dioxol-5-yl-2-methyl-2,3,3a...) Show SMILES CN1C[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C21H19N3O3/c1-23-10-13-9-15-14-4-2-3-5-16(14)22-19(15)20(24(13)21(23)25)12-6-7-17-18(8-12)27-11-26-17/h2-8,13,20,22H,9-11H2,1H3/t13-,20-/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	60	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