BDBM50397069 CHEMBL2171427

SMILES: COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CC(N)C1

InChI Key: InChIKey=IKIKOEVWSHWHSI-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 = 50397069   

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))	BDBM50397069 (CHEMBL2171427) Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)N1CC(N)C1 Show InChI InChI=1S/C22H28N6O2/c1-13-19-20(22(29)28(26-13)15-6-4-3-5-7-15)25-21(24-19)17-9-8-16(10-18(17)30-2)27-11-14(23)12-27/h8-10,14-15H,3-7,11-12,23H2,1-2H3,(H,24,25)	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	73	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