BDBM50256086 CHEMBL4103412

SMILES: COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cccc(c2)C(=O)NCCN(C)C)c1

InChI Key: InChIKey=TUJRLHLOOYKAKH-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 = 50256086   

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))	BDBM50256086 (CHEMBL4103412) Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cccc(c2)C(=O)NCCN(C)C)c1 Show InChI InChI=1S/C32H33N5O3/c1-37(2)16-15-34-31(38)24-10-5-8-22(18-24)21-7-4-9-23(17-21)28-20-29(30-27(36-28)13-14-33-32(30)39)35-25-11-6-12-26(19-25)40-3/h4-12,17-20H,13-16H2,1-3H3,(H,33,39)(H,34,38)(H,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	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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