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SMILES: COc1ccc(-c2nc(C(=O)NCc3ccccc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F

InChI Key: InChIKey=BZCNNIGZRWTXTC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379968   
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))
BDBM50379968
PNG
(CHEMBL2012215)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccccc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N4O3/c1-33-16-8-6-14(13-7-9-18(23(25,26)27)30-19(13)16)22-31-20(17(10-28)34-22)21(32)29-11-12-4-2-3-5-15(12)24/h2-9H,10-11,28H2,1H3,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379968
PNG
(CHEMBL2012215)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccccc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N4O3/c1-33-16-8-6-14(13-7-9-18(23(25,26)27)30-19(13)16)22-31-20(17(10-28)34-22)21(32)29-11-12-4-2-3-5-15(12)24/h2-9H,10-11,28H2,1H3,(H,29,32)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair