BindingDB logo
myBDB logout

BDBM50256085 CHEMBL4102469

SMILES: COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cccc(c2)C(=O)NC2CC2)c1

InChI Key: InChIKey=SDSCBSVZYGVLQF-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 = 50256085   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50256085
PNG
(CHEMBL4102469)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2cccc(c2)-c2cccc(c2)C(=O)NC2CC2)c1
Show InChI InChI=1S/C31H28N4O3/c1-38-25-10-4-9-24(17-25)33-28-18-27(35-26-13-14-32-31(37)29(26)28)21-7-2-5-19(15-21)20-6-3-8-22(16-20)30(36)34-23-11-12-23/h2-10,15-18,23H,11-14H2,1H3,(H,32,37)(H,33,35)(H,34,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/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
More data for this
Ligand-Target Pair