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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM50256058'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50256058
PNG
(CHEMBL4094718)
Show SMILES COC(=O)c1ccc(O)c(c1)-c1cccc(c1)-c1cc(Nc2cccc(OC)c2)c2C(=O)NCCc2n1
Show InChI InChI=1S/C29H25N3O5/c1-36-21-8-4-7-20(15-21)31-25-16-24(32-23-11-12-30-28(34)27(23)25)18-6-3-5-17(13-18)22-14-19(29(35)37-2)9-10-26(22)33/h3-10,13-16,33H,11-12H2,1-2H3,(H,30,34)(H,31,32)
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Article
PubMed
n/an/a 5.60n/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