BDBM50255988 CHEMBL4076119

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

InChI Key: InChIKey=DZBKKACXTUJXJD-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 = 50255988   

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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50255988 (CHEMBL4076119) Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(Br)c2)c1 Show InChI InChI=1S/C21H18BrN3O2/c1-27-16-7-3-6-15(11-16)24-19-12-18(13-4-2-5-14(22)10-13)25-17-8-9-23-21(26)20(17)19/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	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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