BDBM50412432 CHEMBL484065

SMILES: CCN1C2=N[C@@H]3CCC[C@@H]3N2C2N=CN(Cc3ccc(O)c(Br)c3)C2C1=O

InChI Key: InChIKey=UJWIAPHNKMQZCP-VBJONLRCSA-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 = 50412432   

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))	BDBM50412432 (CHEMBL484065) Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2C2N=CN(Cc3ccc(O)c(Br)c3)C2C1=O |r,c:14,t:3| Show InChI InChI=1S/C19H22BrN5O2/c1-2-24-18(27)16-17(25-14-5-3-4-13(14)22-19(24)25)21-10-23(16)9-11-6-7-15(26)12(20)8-11/h6-8,10,13-14,16-17,26H,2-5,9H2,1H3/t13-,14+,16?,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras-UFLA Curated by ChEMBL					Assay Description Inhibition of PDE5				Eur J Med Chem 43: 1632-8 (2008) Article DOI: 10.1016/j.ejmech.2007.10.019 BindingDB Entry DOI: 10.7270/Q2Q81F9P
					More data for this Ligand-Target Pair