BDBM50256126 CHEMBL4079785

SMILES: O=C1NCCc2nc(cc(NCc3ccncc3)c12)-c1ccccc1

InChI Key: InChIKey=JXZVGELAZZVXTD-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 = 50256126   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50256126 (CHEMBL4079785) Show SMILES O=C1NCCc2nc(cc(NCc3ccncc3)c12)-c1ccccc1 Show InChI InChI=1S/C20H18N4O/c25-20-19-16(8-11-22-20)24-17(15-4-2-1-3-5-15)12-18(19)23-13-14-6-9-21-10-7-14/h1-7,9-10,12H,8,11,13H2,(H,22,25)(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...				J Med Chem 61: 2472-2489 (2018) Article DOI: 10.1021/acs.jmedchem.7b01751 BindingDB Entry DOI: 10.7270/Q2HQ42BB
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