BDBM50397055 CHEMBL2171442

SMILES: COc1cc(ccc1-c1nc2c(C)nn(C3CCCCCC3)c(=O)c2[nH]1)N1CCC(N)CC1

InChI Key: InChIKey=GDUIFHBFLBPPOC-UHFFFAOYSA-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 = 50397055   

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 7 (Homo sapiens (Human))	BDBM50397055 (CHEMBL2171442) Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCCC3)c(=O)c2[nH]1)N1CCC(N)CC1 Show InChI InChI=1S/C25H34N6O2/c1-16-22-23(25(32)31(29-16)18-7-5-3-4-6-8-18)28-24(27-22)20-10-9-19(15-21(20)33-2)30-13-11-17(26)12-14-30/h9-10,15,17-18H,3-8,11-14,26H2,1-2H3,(H,27,28)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay				Bioorg Med Chem Lett 22: 6286-91 (2012) Article DOI: 10.1016/j.bmcl.2012.07.077 BindingDB Entry DOI: 10.7270/Q21Z45JB
					More data for this Ligand-Target Pair