BDBM50397067 CHEMBL2171429

SMILES: COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)-c1cn[nH]c1

InChI Key: InChIKey=CVMLZSHFQUWUDA-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 = 50397067   

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))	BDBM50397067 (CHEMBL2171429) Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C22H24N6O2/c1-13-19-20(22(29)28(27-13)16-6-4-3-5-7-16)26-21(25-19)17-9-8-14(10-18(17)30-2)15-11-23-24-12-15/h8-12,16H,3-7H2,1-2H3,(H,23,24)(H,25,26)	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	45	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