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SMILES: COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(CCCCc3ccccc3)c2c1

InChI Key: InChIKey=QMXOEOXLZFHHTF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50218591   
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 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50218591
PNG
(CHEMBL123550)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(CCCCc3ccccc3)c2c1
Show InChI InChI=1S/C25H23Cl2N3O/c1-31-18-11-12-19-20(13-18)24(10-6-5-9-17-7-3-2-4-8-17)29-30-25(19)14-21-22(26)15-28-16-23(21)27/h2-4,7-8,11-13,15-16H,5-6,9-10,14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Percent inhibition of human Phosphodiesterase 4 at 10e-7 M

Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair