BDBM50397060 CHEMBL2171436

SMILES: CNC(=O)Nc1ccc(-c2nc3c(C)nn(C4CCCCC4)c(=O)c3[nH]2)c(OC)c1

InChI Key: InChIKey=HVLVRLZOLMTPJZ-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 = 50397060   

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))	BDBM50397060 (CHEMBL2171436) Show SMILES CNC(=O)Nc1ccc(-c2nc3c(C)nn(C4CCCCC4)c(=O)c3[nH]2)c(OC)c1 Show InChI InChI=1S/C21H26N6O3/c1-12-17-18(20(28)27(26-12)14-7-5-4-6-8-14)25-19(24-17)15-10-9-13(11-16(15)30-3)23-21(29)22-2/h9-11,14H,4-8H2,1-3H3,(H,24,25)(H2,22,23,29)	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	24	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